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

Systemtic Name: 1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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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)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2O2.BrH/c1-15-4-3-5-17(12-15)19-10-11-22(14-21-19)13-20(23)16-6-8-18(24-2)9-7-16;/h3-12,14H,13H2,1-2H3;1H/q+1;/p-1