1-(3-nitrophenyl)-2-[3-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone chloride

Systemtic Name: 1-(3-nitrophenyl)-2-[3-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 2-(3-benzoylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone chloride CAS Name: 2-(3-benzoyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)ethanone chloride IUPAC Name: 2-(3-benzoylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone chloride Traditional Name: 2-(3-benzoylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone chloride Formula: C20H15ClN2O4 MolecularWeight: 382.7971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H15N2O4.ClH/c23-19(16-8-4-10-18(12-16)22(25)26)14-21-11-5-9-17(13-21)20(24)15-6-2-1-3-7-15;/h1-13H,14H2;1H/q+1;/p-1