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

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

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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=CC=C3OC.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CC=C3OC.[Br-]

InChI

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