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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N3OS.I
Molecular Weight 377.244
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=OKTWHVBSBNCONO-UHFFFAOYSA-M
InChI=1S/C12H16N3OS.HI/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;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.9045
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H16N3OS
Molecular Weight 250.34
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 Sat Dec 16 20:09:39 GMT 2023
Edited
by admin
on Sat Dec 16 20:09:39 GMT 2023
Record UNII
GC2KW43L57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-Butoxy-1,2,5-thiadiazol-3-yl)-1-methylpyridinium iodide
Systematic Name English
Pyridinium, 3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-, iodide
Systematic Name English
Code System Code Type Description
PUBCHEM
19075249
Created by admin on Sat Dec 16 20:09:39 GMT 2023 , Edited by admin on Sat Dec 16 20:09:39 GMT 2023
PRIMARY
FDA UNII
GC2KW43L57
Created by admin on Sat Dec 16 20:09:39 GMT 2023 , Edited by admin on Sat Dec 16 20:09:39 GMT 2023
PRIMARY
CAS
131988-14-2
Created by admin on Sat Dec 16 20:09:39 GMT 2023 , Edited by admin on Sat Dec 16 20:09:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE