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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-(2,4-dimethylphenyl)-1-pyrimidin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C20H19BrN2O MolecularWeight: 383.28166

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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)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2O.BrH/c1-15-8-9-18(16(2)12-15)19-10-11-22(14-21-19)13-20(23)17-6-4-3-5-7-17;/h3-12,14H,13H2,1-2H3;1H/q+1;/p-1