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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20N3OS.I
Molecular Weight 405.298
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

[I-].CCCCCCOC1=NSN=C1C2=CC=C[N+](C)=C2

InChI

InChIKey=PLDTVIHYDHJMEQ-UHFFFAOYSA-M
InChI=1S/C14H20N3OS.HI/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;/h7-9,11H,3-6,10H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.90447
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H20N3OS
Molecular Weight 278.393
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 18:49:44 GMT 2025
Edited
by admin
on Wed Apr 02 18:49:44 GMT 2025
Record UNII
P9XKF3BE4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-hexoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole,iodide
Preferred Name English
3-(4-Hexyloxy-1,2,5-thiadiazol-3-yl)-1-methylpyridinium iodide
Systematic Name English
Pyridinium, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-, iodide
Systematic Name English
Pyridinium, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-, iodide (1:1)
Systematic Name English
Code System Code Type Description
CAS
131988-19-7
Created by admin on Wed Apr 02 18:49:44 GMT 2025 , Edited by admin on Wed Apr 02 18:49:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID30596688
Created by admin on Wed Apr 02 18:49:44 GMT 2025 , Edited by admin on Wed Apr 02 18:49:44 GMT 2025
PRIMARY
PUBCHEM
18940948
Created by admin on Wed Apr 02 18:49:44 GMT 2025 , Edited by admin on Wed Apr 02 18:49:44 GMT 2025
PRIMARY
FDA UNII
P9XKF3BE4Q
Created by admin on Wed Apr 02 18:49:44 GMT 2025 , Edited by admin on Wed Apr 02 18:49:44 GMT 2025
PRIMARY
Related Record Type Details
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