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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)Cl.[Br-]

InChI

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