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Details

Stereochemistry ACHIRAL
Molecular Formula C14H17N2.Br
Molecular Weight 293.202
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 bromide

SMILES

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

InChI

InChIKey=CABZDZWLACMGNQ-UHFFFAOYSA-M
InChI=1S/C14H17N2.BrH/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 C14H17N2
Molecular Weight 213.2982
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
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 20:17:54 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:54 GMT 2023
Record UNII
LBB6LJ58GA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Benzyl-4-methyl-3-(methylamino)pyridin-1-ium bromide
Systematic Name English
Pyridinium, 4-methyl-3-(methylamino)-1-(phenylmethyl)-, bromide (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
76285828
Created by admin on Sat Dec 16 20:17:54 GMT 2023 , Edited by admin on Sat Dec 16 20:17:54 GMT 2023
PRIMARY
FDA UNII
LBB6LJ58GA
Created by admin on Sat Dec 16 20:17:54 GMT 2023 , Edited by admin on Sat Dec 16 20:17:54 GMT 2023
PRIMARY
CAS
1615709-89-1
Created by admin on Sat Dec 16 20:17:54 GMT 2023 , Edited by admin on Sat Dec 16 20:17:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE