2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(2,3-dimethyl-1-benzimidazol-3-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C17H16BrN3O3 MolecularWeight: 390.23124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C.[Br-]

InChI

InChI=1S/C17H16N3O3.BrH/c1-12-18(2)15-5-3-4-6-16(15)19(12)11-17(21)13-7-9-14(10-8-13)20(22)23;/h3-10H,11H2,1-2H3;1H/q+1;/p-1