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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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