2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-amino-3-(p-tolylmethyl)benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-amino-3-[(4-methylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-amino-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-amino-3-(4-methylbenzyl)benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide Formula: C23H22BrN3O MolecularWeight: 436.34428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=CC=C4)N.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=CC=C4)N.[Br-]

InChI

InChI=1S/C23H21N3O.BrH/c1-17-11-13-18(14-12-17)15-25-20-9-5-6-10-21(20)26(23(25)24)16-22(27)19-7-3-2-4-8-19;/h2-14,24H,15-16H2,1H3;1H