1-(3-nitrophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(3-nitrophenyl)-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone Formula: C18H14N3O3+ MolecularWeight: 320.32206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C18H14N3O3/c22-18(16-2-1-3-17(12-16)21(23)24)13-20-10-6-15(7-11-20)14-4-8-19-9-5-14/h1-12H,13H2/q+1