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Details

Stereochemistry ACHIRAL
Molecular Formula C10H16N.CF3O3S
Molecular Weight 299.31
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Butyl-4-methylpyridinium trifluoromethanesulfonate

SMILES

[O-]S(=O)(=O)C(F)(F)F.CCCC[N+]1=CC=C(C)C=C1

InChI

InChIKey=UTVYJPCPEBAGFO-UHFFFAOYSA-M
InChI=1S/C10H16N.CHF3O3S/c1-3-4-7-11-8-5-10(2)6-9-11;2-1(3,4)8(5,6)7/h5-6,8-9H,3-4,7H2,1-2H3;(H,5,6,7)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula CF3O3S
Molecular Weight 149.069
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H16N
Molecular Weight 150.2407
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 Mon Mar 31 22:21:30 GMT 2025
Edited
by admin
on Mon Mar 31 22:21:30 GMT 2025
Record UNII
G26V6H9CNE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Butyl-4-methylpyridinium trifluoromethanesulfonate
Systematic Name English
1-Butyl-4-methylpyridinium triflate
Preferred Name English
Pyridinium, 1-butyl-4-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
60196392
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
CAS
882172-79-4
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
FDA UNII
G26V6H9CNE
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID5049368
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE