1-(3-Sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]quinolinium hydroxide, inner salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H24N2O6S3
Molecular Weight	520.641
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-(3-Sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]quinolinium hydroxide, inner salt

Structure Search

SMILES

OS(=O)(=O)CCCN1\C(SC2=C1C=CC=C2)=C\C3=[N+](CCCS([O-])(=O)=O)C4=C(C=CC=C4)C=C3

InChI

InChIKey=KPMOTKVHMBUWQP-UHFFFAOYSA-N

InChI=1S/C23H24N2O6S3/c26-33(27,28)15-5-13-24-19(12-11-18-7-1-2-8-20(18)24)17-23-25(14-6-16-34(29,30)31)21-9-3-4-10-22(21)32-23/h1-4,7-12,17H,5-6,13-16H2,(H-,26,27,28,29,30,31)

HIDE SMILES / InChI

Molecular Formula	C23H24N2O6S3
Molecular Weight	520.641
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:29:01 GMT 2023` Edited by `admin` on `Sat Dec 16 12:29:01 GMT 2023`
Record UNII	77JJA3S75X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(3-Sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]quinolinium hydroxide, inner salt

Systematic Name

English

Quinolinium, 1-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, inner salt

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

265-374-1