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Details

Stereochemistry ACHIRAL
Molecular Formula C17H20N3O2S
Molecular Weight 330.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 2-(MERCAPTOMETHYL)-4-METHOXY-1-(6-METHOXY-1H-BENZIMIDAZOL-2-YL)-3,5-DIMETHYLPYRIDINIUM

SMILES

COC1=CC=C2NC(=NC2=C1)[N+]3=C(CS)C(C)=C(OC)C(C)=C3

InChI

InChIKey=JKVAPRUOVGZUFY-UHFFFAOYSA-O
InChI=1S/C17H19N3O2S/c1-10-8-20(15(9-23)11(2)16(10)22-4)17-18-13-6-5-12(21-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H-,18,19,23)/p+1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-(MERCAPTOMETHYL)-4-METHOXY-1-(6-METHOXY-1H-BENZIMIDAZOL-2-YL)-3,5-DIMETHYLPYRIDINIUM
Systematic Name English
PYRIDINIUM, 2-(MERCAPTOMETHYL)-4-METHOXY-1-(6-METHOXY-1H-BENZIMIDAZOL-2-YL)-3,5-DIMETHYL-
Systematic Name English
2-(MERCAPTOMETHYL)-4-METHOXY-1-(6-METHOXY-1H-BENZIMIDAZOL-2-YL)-3,5-DIMETHYLPYRIDINIUM ION
Systematic Name English
Code System Code Type Description
CAS
125656-79-3
Created by admin on Sat Dec 16 15:38:39 GMT 2023 , Edited by admin on Sat Dec 16 15:38:39 GMT 2023
PRIMARY
PUBCHEM
155923096
Created by admin on Sat Dec 16 15:38:39 GMT 2023 , Edited by admin on Sat Dec 16 15:38:39 GMT 2023
PRIMARY
FDA UNII
6BTN3S46UW
Created by admin on Sat Dec 16 15:38:39 GMT 2023 , Edited by admin on Sat Dec 16 15:38:39 GMT 2023
PRIMARY
NIH
NCATS
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