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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2,4-dimethoxyphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N2O5.BrH/c1-26-16-6-7-17(21(12-16)28-3)18-9-10-24(14-23-18)13-19(25)15-5-8-20(27-2)22(11-15)29-4;/h5-12,14H,13H2,1-4H3;1H/q+1;/p-1