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

Systemtic Name: 2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C24H22BrN3O3 MolecularWeight: 480.35378

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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.[Br-]

Isomeric SMILES

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

InChI

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