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

Systemtic Name: 2-[4-(4-methylphenyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 1-phenyl-2-[4-(p-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 2-[4-(4-methylphenyl)-1-pyrimidin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[4-(4-methylphenyl)pyrimidin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 1-phenyl-2-[4-(p-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C19H17BrN2O MolecularWeight: 369.25508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N2O.BrH/c1-15-7-9-16(10-8-15)18-11-12-21(14-20-18)13-19(22)17-5-3-2-4-6-17;/h2-12,14H,13H2,1H3;1H/q+1;/p-1