U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17N2O2S
Molecular Weight 277.362
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of N,N-dimethyl-1-(4-methylphenyl)sulfonylpyridin-1-ium-4-amine

SMILES

CN(C)C1=CC=[N+](C=C1)S(=O)(=O)C2=CC=C(C)C=C2

InChI

InChIKey=NLSULNIXOLRUNC-UHFFFAOYSA-N
InChI=1S/C14H17N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16-10-8-13(9-11-16)15(2)3/h4-11H,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula C14H17N2O2S
Molecular Weight 277.362
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 Wed Apr 02 19:44:09 GMT 2025
Edited
by admin
on Wed Apr 02 19:44:09 GMT 2025
Record UNII
J2WN489XQC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Dimethylamino)-1-(4-methylphenylsulfonyl)pyridin-1-ium
Preferred Name English
N,N-dimethyl-1-(4-methylphenyl)sulfonylpyridin-1-ium-4-amine
Systematic Name English
4-(Dimethylamino)-1-[(4-methylphenyl)sulfonyl]pyridinium
Systematic Name English
4-(Dimethylamino)-1-tosyl-1-pyridinium
Systematic Name English
Pyridinium, 4-(dimethylamino)-1-[(4-methylphenyl)sulfonyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
J2WN489XQC
Created by admin on Wed Apr 02 19:44:09 GMT 2025 , Edited by admin on Wed Apr 02 19:44:09 GMT 2025
PRIMARY
CAS
85533-25-1
Created by admin on Wed Apr 02 19:44:09 GMT 2025 , Edited by admin on Wed Apr 02 19:44:09 GMT 2025
PRIMARY
PUBCHEM
4269505
Created by admin on Wed Apr 02 19:44:09 GMT 2025 , Edited by admin on Wed Apr 02 19:44:09 GMT 2025
PRIMARY