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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N3OS
Molecular Weight 250.34
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3-(4-Butoxy-1,2,5-thiadiazol-3-yl)-1-methylpyridinium

SMILES

CCCCOC1=NSN=C1C2=CC=C[N+](C)=C2

InChI

InChIKey=PCOGXDKXKXTXBJ-UHFFFAOYSA-N
InChI=1S/C12H16N3OS/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h5-7,9H,3-4,8H2,1-2H3/q+1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-(4-Butoxy-1,2,5-thiadiazol-3-yl)-1-methylpyridinium
Preferred Name English
Code System Code Type Description
FDA UNII
JF9LTQ222H
Created by admin on Wed Apr 02 18:39:48 GMT 2025 , Edited by admin on Wed Apr 02 18:39:48 GMT 2025
PRIMARY
PUBCHEM
19075250
Created by admin on Wed Apr 02 18:39:48 GMT 2025 , Edited by admin on Wed Apr 02 18:39:48 GMT 2025
PRIMARY
CAS
750538-32-0
Created by admin on Wed Apr 02 18:39:48 GMT 2025 , Edited by admin on Wed Apr 02 18:39:48 GMT 2025
PRIMARY
NIH
NCATS
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