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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13N2.CF3O3S
Molecular Weight 370.346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Quinolinylmethyl)pyridinium triflate

SMILES

[O-]S(=O)(=O)C(F)(F)F.C(C1=NC2=C(C=CC=C2)C=C1)[N+]3=CC=CC=C3

InChI

InChIKey=OCZLFXWPVGMAGL-UHFFFAOYSA-M
InChI=1S/C15H13N2.CHF3O3S/c1-4-10-17(11-5-1)12-14-9-8-13-6-2-3-7-15(13)16-14;2-1(3,4)8(5,6)7/h1-11H,12H2;(H,5,6,7)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C15H13N2
Molecular Weight 221.2771
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:22:04 GMT 2025
Edited
by admin
on Wed Apr 02 19:22:04 GMT 2025
Record UNII
L6UJX46XDL
Record Status Validated (UNII)
Record Version
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Name Type Language
1-(2-Quinolinylmethyl)pyridinium 1,1,1-trifluoromethanesulfonate
Preferred Name English
1-(2-Quinolinylmethyl)pyridinium triflate
Common Name English
Pyridinium, 1-(2-quinolinylmethyl)-, 1,1,1-trifluoromethanesulfonate
Systematic Name English
Pyridinium, 1-(2-quinolinylmethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
Systematic Name English
Code System Code Type Description
CAS
3036874-76-4
Created by admin on Wed Apr 02 19:22:04 GMT 2025 , Edited by admin on Wed Apr 02 19:22:04 GMT 2025
PRIMARY
FDA UNII
L6UJX46XDL
Created by admin on Wed Apr 02 19:22:04 GMT 2025 , Edited by admin on Wed Apr 02 19:22:04 GMT 2025
PRIMARY
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