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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+](C1=O)C)C=CC2=C(C=CC=C2OC)O)C=CC3=C(C=CC=C3OC)O.[Cl-]

Isomeric SMILES

CN1C(=CC(=[N+](C1=O)C)/C=C/C2=C(C=CC=C2OC)O)/C=C/C3=C(C=CC=C3OC)O.[Cl-]

InChI

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