1-(4-phenylphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-phenylphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-phenylphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-phenylphenyl)-2-(4-phenyl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-phenylphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-phenylphenyl)-2-(4-phenylpyrimidin-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)C(=O)C[N+]3=CN=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CN=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

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