4-(1,1,2-TRIMETHYL-1H-BENZO(E)INDOLIUM-3-YL)BUTANE-1-SULFONATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H23NO3S
Molecular Weight	345.456
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(1,1,2-TRIMETHYL-1H-BENZO(E)INDOLIUM-3-YL)BUTANE-1-SULFONATE

Structure Search

SMILES

CC1=[N+](CCCCS([O-])(=O)=O)C2=CC=C3C=CC=CC3=C2C1(C)C

InChI

InChIKey=GJCURKVOCXJAIV-UHFFFAOYSA-N

InChI=1S/C19H23NO3S/c1-14-19(2,3)18-16-9-5-4-8-15(16)10-11-17(18)20(14)12-6-7-13-24(21,22)23/h4-5,8-11H,6-7,12-13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C19H23NO3S
Molecular Weight	345.456
Charge	0
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 `Wed Apr 02 08:40:20 GMT 2025` Edited by `admin` on `Wed Apr 02 08:40:20 GMT 2025`
Record UNII	W9KRO9XD0N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-BENZ(E)INDOLIUM, 1,1,2-TRIMETHYL-3-(4-SULFOBUTYL)-, INNER SALT

Preferred Name

English

4-(1,1,2-TRIMETHYL-1H-BENZO(E)INDOLIUM-3-YL)BUTANE-1-SULFONATE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

263-961-7

Created by admin on Wed Apr 02 08:40:20 GMT 2025 , Edited by admin on Wed Apr 02 08:40:20 GMT 2025

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PUBCHEM

113092

Created by admin on Wed Apr 02 08:40:20 GMT 2025 , Edited by admin on Wed Apr 02 08:40:20 GMT 2025

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FDA UNII

W9KRO9XD0N

Created by admin on Wed Apr 02 08:40:20 GMT 2025 , Edited by admin on Wed Apr 02 08:40:20 GMT 2025

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EPA CompTox

DTXSID2069739

Created by admin on Wed Apr 02 08:40:20 GMT 2025 , Edited by admin on Wed Apr 02 08:40:20 GMT 2025

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CAS

63149-24-6

Created by admin on Wed Apr 02 08:40:20 GMT 2025 , Edited by admin on Wed Apr 02 08:40:20 GMT 2025

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