(3E,5E)-3,5-bis[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1-methyl-piperidin-4-one hydrochloride

Systemtic Name: (3E,5E)-3,5-bis[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1-methyl-piperidin-4-one hydrochloride Openeye Name: (3E,5E)-3,5-bis[(3-hydroxy-4-methoxy-phenyl)methylene]-1-methyl-piperidin-4-one hydrochloride CAS Name: (3E,5E)-3,5-bis[(3-hydroxy-4-methoxyphenyl)methylidene]-1-methyl-4-piperidinone hydrochloride IUPAC Name: (3E,5E)-3,5-bis[(3-hydroxy-4-methoxyphenyl)methylidene]-1-methylpiperidin-4-one hydrochloride Traditional Name: (3E,5E)-3,5-bis(3-hydroxy-4-methoxy-benzylidene)-1-methyl-4-piperidone hydrochloride Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=CC2=CC(=C(C=C2)OC)O)C(=O)C(=CC3=CC(=C(C=C3)OC)O)C1.Cl

Isomeric SMILES

CN1C/C(=C\C2=CC(=C(C=C2)OC)O)/C(=O)/C(=C/C3=CC(=C(C=C3)OC)O)/C1.Cl

InChI

InChI=1S/C22H23NO5.ClH/c1-23-12-16(8-14-4-6-20(27-2)18(24)10-14)22(26)17(13-23)9-15-5-7-21(28-3)19(25)11-15;/h4-11,24-25H,12-13H2,1-3H3;1H/b16-8+,17-9+;