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Details

Stereochemistry ACHIRAL
Molecular Formula C16H24N3OS.I
Molecular Weight 433.351
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl-3-[4-(octyloxy)-1,2,5-thiadiazol-3-yl]pyridinium iodide

SMILES

[I-].CCCCCCCCOC1=NSN=C1C2=C[N+](C)=CC=C2

InChI

InChIKey=DZNFBYGTWQEIHO-UHFFFAOYSA-M
InChI=1S/C16H24N3OS.HI/c1-3-4-5-6-7-8-12-20-16-15(17-21-18-16)14-10-9-11-19(2)13-14;/h9-11,13H,3-8,12H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C16H24N3OS
Molecular Weight 306.446
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:08:41 GMT 2023
Edited
by admin
on Sat Dec 16 20:08:41 GMT 2023
Record UNII
DV9TCD9DDY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Methyl-3-[4-(octyloxy)-1,2,5-thiadiazol-3-yl]pyridinium iodide
Common Name English
Pyridinium, 1-methyl-3-[4-(octyloxy)-1,2,5-thiadiazol-3-yl]-, iodide
Systematic Name English
Pyridinium, 1-methyl-3-[4-(octyloxy)-1,2,5-thiadiazol-3-yl]-, iodide (1:1)
Systematic Name English
Code System Code Type Description
CAS
131988-31-3
Created by admin on Sat Dec 16 20:08:41 GMT 2023 , Edited by admin on Sat Dec 16 20:08:41 GMT 2023
PRIMARY
FDA UNII
DV9TCD9DDY
Created by admin on Sat Dec 16 20:08:41 GMT 2023 , Edited by admin on Sat Dec 16 20:08:41 GMT 2023
PRIMARY
PUBCHEM
19075404
Created by admin on Sat Dec 16 20:08:41 GMT 2023 , Edited by admin on Sat Dec 16 20:08:41 GMT 2023
PRIMARY
Related Record Type Details
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