2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C30H27BrN2O MolecularWeight: 511.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H27N2O.BrH/c1-22-17-28-29(18-23(22)2)32(21-31(28)19-24-9-5-3-6-10-24)20-30(33)27-15-13-26(14-16-27)25-11-7-4-8-12-25;/h3-18,21H,19-20H2,1-2H3;1H/q+1;/p-1