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

Systemtic Name: 2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(2-amino-3-ethyl-1-benzimidazol-1-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C17H17BrN4O3 MolecularWeight: 405.24588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H16N4O3.BrH/c1-2-19-14-5-3-4-6-15(14)20(17(19)18)11-16(22)12-7-9-13(10-8-12)21(23)24;/h3-10,18H,2,11H2,1H3;1H