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Details

Stereochemistry ACHIRAL
Molecular Formula C11H18N.CF3O3S
Molecular Weight 313.336
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Hexylpyridinium trifluoromethanesulfonate

SMILES

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

InChI

InChIKey=QFAUKQKOJVLHEL-UHFFFAOYSA-M
InChI=1S/C11H18N.CHF3O3S/c1-2-3-4-6-9-12-10-7-5-8-11-12;2-1(3,4)8(5,6)7/h5,7-8,10-11H,2-4,6,9H2,1H3;(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 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 07:57:25 GMT 2023
Edited
by admin
on Sat Dec 16 07:57:25 GMT 2023
Record UNII
9AT6XD9ZEE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Hexylpyridinium trifluoromethanesulfonate
Systematic Name English
Pyridinium, 1-hexyl-, trifluoromethanesulfonate
Systematic Name English
N-Hexylpyridinium Trifluoromethanesulfonate
Systematic Name English
Pyridinium, 1-hexyl-, trifluoromethanesulfonate (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
2734249
Created by admin on Sat Dec 16 07:57:25 GMT 2023 , Edited by admin on Sat Dec 16 07:57:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID8049335
Created by admin on Sat Dec 16 07:57:25 GMT 2023 , Edited by admin on Sat Dec 16 07:57:25 GMT 2023
PRIMARY
CAS
623167-81-7
Created by admin on Sat Dec 16 07:57:25 GMT 2023 , Edited by admin on Sat Dec 16 07:57:25 GMT 2023
PRIMARY
FDA UNII
9AT6XD9ZEE
Created by admin on Sat Dec 16 07:57:25 GMT 2023 , Edited by admin on Sat Dec 16 07:57:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE