4-(PHENYLTHIO)-1-(4-SULPHONATOBUTYL)PYRIDINIUM

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H17NO3S2
Molecular Weight	323.43
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(PHENYLTHIO)-1-(4-SULPHONATOBUTYL)PYRIDINIUM

Structure Search

SMILES

[O-]S(=O)(=O)CCCC[N+]1=CC=C(SC2=CC=CC=C2)C=C1

InChI

InChIKey=QZNKYTVDANPFQE-UHFFFAOYSA-N

InChI=1S/C15H17NO3S2/c17-21(18,19)13-5-4-10-16-11-8-15(9-12-16)20-14-6-2-1-3-7-14/h1-3,6-9,11-12H,4-5,10,13H2

HIDE SMILES / InChI

Molecular Formula	C15H17NO3S2
Molecular Weight	323.43
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 09:01:48 GMT 2025` Edited by `admin` on `Wed Apr 02 09:01:48 GMT 2025`
Record UNII	BBH9H309Y3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(PHENYLTHIO)-1-(4-SULPHONATOBUTYL)PYRIDINIUM

Systematic Name

English

PYRIDINIUM, 4-(PHENYLTHIO)-1-(4-SULFOBUTYL)-, INNER SALT

Preferred Name

English

Code System Code Type Description

PUBCHEM

113082

Created by admin on Wed Apr 02 09:01:48 GMT 2025 , Edited by admin on Wed Apr 02 09:01:48 GMT 2025

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CAS

63149-06-4

Created by admin on Wed Apr 02 09:01:48 GMT 2025 , Edited by admin on Wed Apr 02 09:01:48 GMT 2025

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ECHA (EC/EINECS)

263-954-9

Created by admin on Wed Apr 02 09:01:48 GMT 2025 , Edited by admin on Wed Apr 02 09:01:48 GMT 2025

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EPA CompTox

DTXSID7069730

Created by admin on Wed Apr 02 09:01:48 GMT 2025 , Edited by admin on Wed Apr 02 09:01:48 GMT 2025

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FDA UNII

BBH9H309Y3

Created by admin on Wed Apr 02 09:01:48 GMT 2025 , Edited by admin on Wed Apr 02 09:01:48 GMT 2025

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