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

Systemtic Name: 1-naphthalen-2-yl-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(2-naphthyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(2-naphthalenyl)-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-naphthalen-2-yl-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(2-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=CC5=CC=CC=C5C=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=[N+](C=C3)CC(=O)C4=CC5=CC=CC=C5C=C4.[Br-]

InChI

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