Details
Stereochemistry | ACHIRAL |
Molecular Formula | C12H20NO.C7H7O3S |
Molecular Weight | 365.487 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+](C)(C)CC2=CC(OC)=CC=C2
InChI
InChIKey=IOCHDYUJEBGIKB-UHFFFAOYSA-M
InChI=1S/C12H20NO.C7H8O3S/c1-5-13(2,3)10-11-7-6-8-12(9-11)14-4;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,5,10H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
Molecular Formula | C12H20NO |
Molecular Weight | 194.2933 |
Charge | 1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C7H7O3S |
Molecular Weight | 171.194 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Jul 05 22:53:52 UTC 2023
by
admin
on
Wed Jul 05 22:53:52 UTC 2023
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Record UNII |
CIQ9QG91PY
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C47793
Created by
admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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Code System | Code | Type | Description | ||
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100000080199
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CIQ9QG91PY
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admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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30716-01-9
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admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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DTXSID50952949
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admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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C87600
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admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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4149
Created by
admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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CHEMBL2110817
Created by
admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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SUB06507MIG
Created by
admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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9976106
Created by
admin on Wed Jul 05 22:53:52 UTC 2023 , Edited by admin on Wed Jul 05 22:53:52 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |