1-(4-chlorophenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone bromide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]ethanone bromide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C22H18BrClN2O MolecularWeight: 441.74812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN2O.BrH/c23-19-12-10-18(11-13-19)22(26)15-25-16-24(14-17-6-2-1-3-7-17)20-8-4-5-9-21(20)25;/h1-13,16H,14-15H2;1H/q+1;/p-1