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

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-phenylethanone bromide IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C22H20BrN3O MolecularWeight: 422.3177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O.BrH/c23-22-24(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25(22)16-21(26)18-11-5-2-6-12-18;/h1-14,23H,15-16H2;1H