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

Systemtic Name: 1-phenyl-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-phenyl-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-phenyl-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-phenyl-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-phenyl-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C24H19BrN2O MolecularWeight: 431.32446

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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=CC=C4.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C24H19N2O.BrH/c27-24(22-9-5-2-6-10-22)17-26-16-15-23(25-18-26)21-13-11-20(12-14-21)19-7-3-1-4-8-19;/h1-16,18H,17H2;1H/q+1;/p-1