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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N2
Molecular Weight 173.2343
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3-Benzyl-1-methyl-1H-imidazol-3-ium

SMILES

C[N+]1=CN(CC2=CC=CC=C2)C=C1

InChI

InChIKey=COSSPXYCRNRXRX-UHFFFAOYSA-N
InChI=1S/C11H13N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/q+1

HIDE SMILES / InChI

Molecular Formula C11H13N2
Molecular Weight 173.2343
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 08:52:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:52:54 GMT 2023
Record UNII
PVU3C9GV4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Benzyl-1-methyl-1H-imidazol-3-ium
Systematic Name English
1-Benzyl-3-methylimidazolium
Systematic Name English
1-Methyl-3-(phenylmethyl)-1H-imidazolium
Systematic Name English
1H-Imidazolium, 1-methyl-3-(phenylmethyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10560336
Created by admin on Sat Dec 16 08:52:54 GMT 2023 , Edited by admin on Sat Dec 16 08:52:54 GMT 2023
PRIMARY
FDA UNII
PVU3C9GV4H
Created by admin on Sat Dec 16 08:52:54 GMT 2023 , Edited by admin on Sat Dec 16 08:52:54 GMT 2023
PRIMARY
CAS
52461-82-2
Created by admin on Sat Dec 16 08:52:54 GMT 2023 , Edited by admin on Sat Dec 16 08:52:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID6048096
Created by admin on Sat Dec 16 08:52:54 GMT 2023 , Edited by admin on Sat Dec 16 08:52:54 GMT 2023
PRIMARY
Related Record Type Details
IONIC MOIETY
SALT/SOLVATE -> PARENT