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

Systemtic Name: 2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[4-(3-methylphenyl)-1-pyrimidin-1-iumyl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Formula: C25H21BrN2O MolecularWeight: 445.35104

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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)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H21N2O.BrH/c1-19-6-5-9-23(16-19)24-14-15-27(18-26-24)17-25(28)22-12-10-21(11-13-22)20-7-3-2-4-8-20;/h2-16,18H,17H2,1H3;1H/q+1;/p-1