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Details

Stereochemistry ACHIRAL
Molecular Formula C9H13NO3S
Molecular Weight 215.269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-1-(3-sulfonatopropyl)pyridinium

SMILES

CC1=CC=[N+](CCCS([O-])(=O)=O)C=C1

InChI

InChIKey=MZRTWEBOYWBGCI-UHFFFAOYSA-N
InChI=1S/C9H13NO3S/c1-9-3-6-10(7-4-9)5-2-8-14(11,12)13/h3-4,6-7H,2,5,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H13NO3S
Molecular Weight 215.269
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 Tue Apr 01 19:05:24 GMT 2025
Edited
by admin
on Tue Apr 01 19:05:24 GMT 2025
Record UNII
5558P2NFQ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Methyl-1-(3-sulfonatopropyl)pyridinium
Systematic Name English
3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate
Preferred Name English
Pyridinium, 4-methyl-1-(3-sulphopropyl)-, inner salt
Systematic Name English
Pyridinium, 4-methyl-1-(3-sulfopropyl)-, inner salt
Systematic Name English
4-Methyl-1-(3-sulphonatopropyl)pyridinium
Systematic Name English
Code System Code Type Description
CAS
15626-30-9
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
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PUBCHEM
85029
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID90166068
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
239-702-9
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY
FDA UNII
5558P2NFQ6
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY