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

Systemtic Name: (3E,5E)-3,5-bis[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxy-phenyl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(3-ethoxy-4-hydroxy-benzylidene)-1-methyl-piperidin-1-ium-4-one Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C[NH+](CC(=CC3=CC(=C(C=C3)O)OCC)C2=O)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)OCC)/C[NH+](C2)C)O

InChI

InChI=1S/C24H27NO5/c1-4-29-22-12-16(6-8-20(22)26)10-18-14-25(3)15-19(24(18)28)11-17-7-9-21(27)23(13-17)30-5-2/h6-13,26-27H,4-5,14-15H2,1-3H3/p+1/b18-10+,19-11+