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

Systemtic Name: (3E,5E)-3,5-bis[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxy-phenyl)methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(3-ethoxy-4-hydroxy-benzylidene)-1-ethyl-piperidin-1-ium-4-one Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC(=CC2=CC(=C(C=C2)O)OCC)C(=O)C(=CC3=CC(=C(C=C3)O)OCC)C1

Isomeric SMILES

CC[NH+]1C/C(=C\C2=CC(=C(C=C2)O)OCC)/C(=O)/C(=C/C3=CC(=C(C=C3)O)OCC)/C1

InChI

InChI=1S/C25H29NO5/c1-4-26-15-19(11-17-7-9-21(27)23(13-17)30-5-2)25(29)20(16-26)12-18-8-10-22(28)24(14-18)31-6-3/h7-14,27-28H,4-6,15-16H2,1-3H3/p+1/b19-11+,20-12+