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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17N2.I
Molecular Weight 340.2027
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Benzyl-4-methyl-3-(methylamino)pyridin-1-ium iodide

SMILES

[I-].CNC1=C(C)C=C[N+](CC2=CC=CC=C2)=C1

InChI

InChIKey=NPOZZCZXHSFCSR-UHFFFAOYSA-M
InChI=1S/C14H17N2.HI/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;/h3-9,11,15H,10H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.9045
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H17N2
Molecular Weight 213.2982
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 20:06:40 GMT 2023
Edited
by admin
on Sat Dec 16 20:06:40 GMT 2023
Record UNII
H7UFP7Z3UP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Benzyl-4-methyl-3-(methylamino)pyridin-1-ium iodide
Systematic Name English
Pyridinium, 4-methyl-3-(methylamino)-1-(phenylmethyl)-, iodide (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
H7UFP7Z3UP
Created by admin on Sat Dec 16 20:06:40 GMT 2023 , Edited by admin on Sat Dec 16 20:06:40 GMT 2023
PRIMARY
CAS
1615709-91-5
Created by admin on Sat Dec 16 20:06:40 GMT 2023 , Edited by admin on Sat Dec 16 20:06:40 GMT 2023
PRIMARY
PUBCHEM
76285829
Created by admin on Sat Dec 16 20:06:40 GMT 2023 , Edited by admin on Sat Dec 16 20:06:40 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE