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

Systemtic Name: 4,6-bis[(E)-2-(3-methoxy-2-oxidanyl-phenyl)ethenyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Openeye Name: 4,6-bis[(E)-2-(2-hydroxy-3-methoxy-phenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride CAS Name: 4,6-bis[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3-dimethyl-2-pyrimidin-1-iumone chloride IUPAC Name: 4,6-bis[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidin-1-ium-2-one chloride Traditional Name: 4,6-bis[(E)-2-(2-hydroxy-3-methoxy-phenyl)vinyl]-1,3-dimethyl-pyrimidin-1-ium-2-one chloride Formula: C24H25ClN2O5 MolecularWeight: 456.9187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+](C1=O)C)C=CC2=C(C(=CC=C2)OC)O)C=CC3=C(C(=CC=C3)OC)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5.ClH/c1-25-18(13-11-16-7-5-9-20(30-3)22(16)27)15-19(26(2)24(25)29)14-12-17-8-6-10-21(31-4)23(17)28;/h5-15H,1-4H3,(H,27,28);1H