1-(4-bromophenyl)-2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C18H13Br2ClN2O MolecularWeight: 468.56962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrClN2O.BrH/c19-15-6-4-13(5-7-15)18(23)11-22-9-8-17(21-12-22)14-2-1-3-16(20)10-14;/h1-10,12H,11H2;1H/q+1;/p-1