4,6-bis[(E)-2-(3,5-dimethoxy-2-oxidanyl-phenyl)ethenyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride

Systemtic Name: 4,6-bis[(E)-2-(3,5-dimethoxy-2-oxidanyl-phenyl)ethenyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Openeye Name: 4,6-bis[(E)-2-(2-hydroxy-3,5-dimethoxy-phenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride CAS Name: 4,6-bis[(E)-2-(2-hydroxy-3,5-dimethoxyphenyl)ethenyl]-1,3-dimethyl-2-pyrimidin-1-iumone chloride IUPAC Name: 4,6-bis[(E)-2-(2-hydroxy-3,5-dimethoxyphenyl)ethenyl]-1,3-dimethylpyrimidin-1-ium-2-one chloride Traditional Name: 4,6-bis[(E)-2-(2-hydroxy-3,5-dimethoxy-phenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Formula: C26H29ClN2O7 MolecularWeight: 516.97066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+](C1=O)C)C=CC2=CC(=CC(=C2O)OC)OC)C=CC3=CC(=CC(=C3O)OC)OC.[Cl-]

Isomeric SMILES

CN1C(=CC(=[N+](C1=O)C)/C=C/C2=CC(=CC(=C2O)OC)OC)/C=C/C3=CC(=CC(=C3O)OC)OC.[Cl-]

InChI

InChI=1S/C26H28N2O7.ClH/c1-27-18(9-7-16-11-20(32-3)14-22(34-5)24(16)29)13-19(28(2)26(27)31)10-8-17-12-21(33-4)15-23(35-6)25(17)30;/h7-15H,1-6H3,(H,29,30);1H