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

Systemtic Name: 1-(4-bromophenyl)-2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[4-(3,4-dimethoxyphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C20H18Br2N2O3 MolecularWeight: 494.17652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br)OC.[Br-]

InChI

InChI=1S/C20H18BrN2O3.BrH/c1-25-19-8-5-15(11-20(19)26-2)17-9-10-23(13-22-17)12-18(24)14-3-6-16(21)7-4-14;/h3-11,13H,12H2,1-2H3;1H/q+1;/p-1