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

Systemtic Name: 1-(4-phenylphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-phenylphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-phenylphenyl)-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-phenylphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-phenylphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C30H23BrN2O MolecularWeight: 507.42042

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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)C5=CC=CC=C5.[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)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H23N2O.BrH/c33-30(28-17-13-26(14-18-28)24-9-5-2-6-10-24)21-32-20-19-29(31-22-32)27-15-11-25(12-16-27)23-7-3-1-4-8-23;/h1-20,22H,21H2;1H/q+1;/p-1