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

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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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=C(C=C4)[N+](=O)[O-])N.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3.BrH/c23-22-24(14-16-6-2-1-3-7-16)19-8-4-5-9-20(19)25(22)15-21(27)17-10-12-18(13-11-17)26(28)29;/h1-13,23H,14-15H2;1H