Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H26ClN2.CH3O4S |
| Molecular Weight | 465.005 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COS([O-])(=O)=O.CN(CCCl)C1=CC=C(\C=C\C2=[N+](C)C3=CC=CC=C3C2(C)C)C=C1
InChI
InChIKey=BRCNZYZVEHXRLP-UHFFFAOYSA-M
InChI=1S/C22H26ClN2.CH4O4S/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5-6(2,3)4/h5-14H,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
| Molecular Formula | C22H26ClN2 |
| Molecular Weight | 353.908 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | CH3O4S |
| Molecular Weight | 111.097 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:19:05 GMT 2025
by
admin
on
Wed Apr 02 17:19:05 GMT 2025
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| Record UNII |
TZQ3AB6KGC
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID901005680
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85204-55-3
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44146775
Created by
admin on Wed Apr 02 17:19:05 GMT 2025 , Edited by admin on Wed Apr 02 17:19:05 GMT 2025
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TZQ3AB6KGC
Created by
admin on Wed Apr 02 17:19:05 GMT 2025 , Edited by admin on Wed Apr 02 17:19:05 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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![Structure of 2-[2-[4-[(2-Chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-3H-indolium](/img/5982138d-a491-4222-95e9-b87e2bc3f40d.svg "Structure of 2-[2-[4-[(2-Chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-3H-indolium")