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

Systemtic Name: (3E,5E)-3,5-bis[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(4-hydroxy-3-methoxy-phenyl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-1-methyl-3,5-divanillylidene-piperidin-1-ium-4-one Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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