1-(4-nitrophenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C24H18BrN3O3 MolecularWeight: 476.32202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=[N+](C=C3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C24H18N3O3.BrH/c28-24(21-10-12-22(13-11-21)27(29)30)16-26-15-14-23(25-17-26)20-8-6-19(7-9-20)18-4-2-1-3-5-18;/h1-15,17H,16H2;1H/q+1;/p-1