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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H13N2.I
Molecular Weight 348.1816
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=YGUIRQGPDPOALS-UHFFFAOYSA-M
InChI=1S/C15H13N2.HI/c1-4-10-17(11-5-1)12-14-9-8-13-6-2-3-7-15(13)16-14;/h1-11H,12H2;1H/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 I
Molecular Weight 126.90447
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 Tue Apr 01 19:30:10 GMT 2025
Edited
by admin
on Tue Apr 01 19:30:10 GMT 2025
Record UNII
ZN5YXJ3SAA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-Quinolinylmethyl)pyridinium iodide
Systematic Name English
NSC-2533
Preferred Name English
Pyridinium, 2-quinolylmethyl-, iodide
Systematic Name English
Pyridinium, 1-(2-quinolinylmethyl)-, iodide
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10967892
Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025
PRIMARY
FDA UNII
ZN5YXJ3SAA
Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025
PRIMARY
NSC
2533
Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025
PRIMARY
PUBCHEM
199964
Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025
PRIMARY
CAS
5330-88-1
Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE