3-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-1H-benzimidazol-3-ium

Systemtic Name: 3-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-1H-benzimidazol-3-ium Openeye Name: 3-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-1H-benzimidazol-3-ium CAS Name: 3-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-1H-benzimidazol-3-ium IUPAC Name: 3-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-1H-benzimidazol-3-ium Traditional Name: 3-(4-chlorobenzyl)-2-(phenoxymethyl)-1H-benzimidazol-3-ium Formula: C21H18ClN2O+ MolecularWeight: 349.83342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=[N+](C3=CC=CC=C3N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=[N+](C3=CC=CC=C3N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O/c22-17-12-10-16(11-13-17)14-24-20-9-5-4-8-19(20)23-21(24)15-25-18-6-2-1-3-7-18/h1-13H,14-15H2/p+1