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

Systemtic Name: 1-(4-chlorophenyl)-2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[4-(3-methylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C19H16BrClN2O MolecularWeight: 403.70014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C19H16ClN2O.BrH/c1-14-3-2-4-16(11-14)18-9-10-22(13-21-18)12-19(23)15-5-7-17(20)8-6-15;/h2-11,13H,12H2,1H3;1H/q+1;/p-1