2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C16H15BrN4O3 MolecularWeight: 391.2193

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N.[Br-]

InChI

InChI=1S/C16H14N4O3.BrH/c1-18-13-4-2-3-5-14(13)19(16(18)17)10-15(21)11-6-8-12(9-7-11)20(22)23;/h2-9,17H,10H2,1H3;1H