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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H15N4O3.BrH/c1-11-18(14-4-2-3-5-15(14)19(11)17)10-16(21)12-6-8-13(9-7-12)20(22)23;/h2-9H,10,17H2,1H3;1H/q+1;/p-1