2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Formula: C17H17BrN4O4 MolecularWeight: 421.24528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NCCO.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NCCO.[Br-]

InChI

InChI=1S/C17H16N4O4.BrH/c22-10-9-18-17-19-14-3-1-2-4-15(14)20(17)11-16(23)12-5-7-13(8-6-12)21(24)25;/h1-8,22H,9-11H2,(H,18,19);1H