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

Systemtic Name: (3E,5E)-3,5-bis[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]piperidin-4-one hydrochloride Openeye Name: (3E,5E)-3,5-bis[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]piperidin-4-one hydrochloride CAS Name: (3E,5E)-3,5-bis[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-piperidinone hydrochloride IUPAC Name: (3E,5E)-3,5-bis[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]piperidin-4-one hydrochloride Traditional Name: (3E,5E)-3,5-bis(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-piperidone hydrochloride Formula: C21H20Br2ClNO5 MolecularWeight: 561.6482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2CNCC(=CC3=CC(=C(C(=C3)Br)O)OC)C2=O)Br)O.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)Br)O)OC)/CNC2)Br)O.Cl

InChI

InChI=1S/C21H19Br2NO5.ClH/c1-28-17-7-11(5-15(22)20(17)26)3-13-9-24-10-14(19(13)25)4-12-6-16(23)21(27)18(8-12)29-2;/h3-8,24,26-27H,9-10H2,1-2H3;1H/b13-3+,14-4+;