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

Systemtic Name: 1-phenyl-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone bromide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 1-phenyl-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]ethanone bromide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C22H19BrN2O MolecularWeight: 407.30306

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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=CC=C4.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N2O.BrH/c25-22(19-11-5-2-6-12-19)16-24-17-23(15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)24;/h1-14,17H,15-16H2;1H/q+1;/p-1