U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H18N.C2F6NO4S2
Molecular Weight 444.413
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Hexylpyridinium bis(trifluoromethanesulfonyl)imide

SMILES

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

InChI

InChIKey=KRGMPUIAPYZEKL-UHFFFAOYSA-N
InChI=1S/C11H18N.C2F6NO4S2/c1-2-3-4-6-9-12-10-7-5-8-11-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5,7-8,10-11H,2-4,6,9H2,1H3;/q+1;-1

HIDE SMILES / InChI

Molecular Formula C2F6NO4S2
Molecular Weight 280.146
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H18N
Molecular Weight 164.2673
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 19:47:35 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:35 GMT 2023
Record UNII
FP4V745HJJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Hexylpyridinium bis(trifluoromethanesulfonyl)imide
Common Name English
N-Hexylpyridinium bis(trifluoromethanesulfonyl)imide
Common Name English
Pyridinium, 1-hexyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
Common Name English
Code System Code Type Description
CAS
460983-97-5
Created by admin on Sat Dec 16 19:47:35 GMT 2023 , Edited by admin on Sat Dec 16 19:47:35 GMT 2023
PRIMARY
PUBCHEM
11212948
Created by admin on Sat Dec 16 19:47:35 GMT 2023 , Edited by admin on Sat Dec 16 19:47:35 GMT 2023
PRIMARY
FDA UNII
FP4V745HJJ
Created by admin on Sat Dec 16 19:47:35 GMT 2023 , Edited by admin on Sat Dec 16 19:47:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE