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

Systemtic Name: 1-naphthalen-1-yl-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(1-naphthyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(1-naphthalenyl)-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-naphthalen-1-yl-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(1-naphthyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C28H21BrN2O MolecularWeight: 481.38314

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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=CC5=CC=CC=C54.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=[N+](C=C3)CC(=O)C4=CC=CC5=CC=CC=C54.[Br-]

InChI

InChI=1S/C28H21N2O.BrH/c31-28(26-12-6-10-23-9-4-5-11-25(23)26)19-30-18-17-27(29-20-30)24-15-13-22(14-16-24)21-7-2-1-3-8-21;/h1-18,20H,19H2;1H/q+1;/p-1