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

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

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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)OC.[Br-]

Isomeric SMILES

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

InChI

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