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

Systemtic Name: 1-(4-nitrophenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]ethanone IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C22H18N3O3+ MolecularWeight: 372.39662

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H18N3O3/c26-22(18-10-12-19(13-11-18)25(27)28)15-24-16-23(14-17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-13,16H,14-15H2/q+1