2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(2-nitrophenyl)ethanone

Systemtic Name: 2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(2-nitrophenyl)ethanone Openeye Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(2-nitrophenyl)ethanone CAS Name: 2-[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(2-nitrophenyl)ethanone IUPAC Name: 2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)-1-(2-nitrophenyl)ethanone Traditional Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(2-nitrophenyl)ethanone Formula: C24H22N3O3+ MolecularWeight: 400.44978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H22N3O3/c1-17-12-22-23(13-18(17)2)26(16-25(22)14-19-8-4-3-5-9-19)15-24(28)20-10-6-7-11-21(20)27(29)30/h3-13,16H,14-15H2,1-2H3/q+1