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

Systemtic Name: 1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-(4-phenyl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3-nitrophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Formula: C18H14BrN3O3 MolecularWeight: 400.22606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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