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

Systemtic Name: (3E,5E)-3,5-bis[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one Openeye Name: (3E,5E)-1-benzyl-3,5-bis[(3-hydroxy-4-methoxy-phenyl)methylene]piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(phenylmethyl)-4-piperidin-1-iumone IUPAC Name: (3E,5E)-1-benzyl-3,5-bis[(3-hydroxy-4-methoxyphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3E,5E)-1-benzyl-3,5-bis(3-hydroxy-4-methoxy-benzylidene)piperidin-1-ium-4-one Formula: C28H28NO5+ MolecularWeight: 458.52562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C[NH+](CC(=CC3=CC(=C(C=C3)OC)O)C2=O)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)O)/C[NH+](C2)CC4=CC=CC=C4)O

InChI

InChI=1S/C28H27NO5/c1-33-26-10-8-20(14-24(26)30)12-22-17-29(16-19-6-4-3-5-7-19)18-23(28(22)32)13-21-9-11-27(34-2)25(31)15-21/h3-15,30-31H,16-18H2,1-2H3/p+1/b22-12+,23-13+