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

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-(p-tolyl)ethanone bromide CAS Name: 2-[4-(3,4-dimethoxyphenyl)-1-pyrimidin-1-iumyl]-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-(p-tolyl)ethanone bromide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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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(=C(C=C3)OC)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2O3.BrH/c1-15-4-6-16(7-5-15)19(24)13-23-11-10-18(22-14-23)17-8-9-20(25-2)21(12-17)26-3;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1