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

Systemtic Name: 1-(3-nitrophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(3-nitrophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3-nitrophenyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone bromide Formula: C18H14BrN3O3 MolecularWeight: 400.22606

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N3O3.BrH/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;1H/q+1;/p-1