Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H20NO.C7H7O3S |
| Molecular Weight | 365.487 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 1 |
| 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=CC(OC)=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 | C7H7O3S |
| Molecular Weight | 171.194 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H20NO |
| Molecular Weight | 194.2933 |
| Charge | 1 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:56:08 GMT 2025
by
admin
on
Mon Mar 31 17:56:08 GMT 2025
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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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Official Name | English | ||
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Preferred Name | English | ||
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C47793
Created by
admin on Mon Mar 31 17:56:08 GMT 2025 , Edited by admin on Mon Mar 31 17:56:08 GMT 2025
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100000080199
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CIQ9QG91PY
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30716-01-9
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DTXSID50952949
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C87600
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4149
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CHEMBL2110817
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SUB06507MIG
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9976106
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |