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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-1-pyrimidin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone Formula: C22H23N2O5+ MolecularWeight: 395.42842

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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)OC)OC)OC

Isomeric SMILES

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

InChI

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