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

Systemtic Name: 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C18H13BrCl2N2O MolecularWeight: 424.11862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C18H13Cl2N2O.BrH/c19-15-5-1-13(2-6-15)17-9-10-22(12-21-17)11-18(23)14-3-7-16(20)8-4-14;/h1-10,12H,11H2;1H/q+1;/p-1