(3Z,5E)-3,5-bis[(3-hydroxyphenyl)methylidene]-1-propyl-piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-3,5-bis[(3-hydroxyphenyl)methylidene]-1-propyl-piperidin-1-ium-4-one Openeye Name: (3Z,5E)-3,5-bis[(3-hydroxyphenyl)methylene]-1-propyl-piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(3-hydroxyphenyl)methylidene]-1-propyl-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-3,5-bis[(3-hydroxyphenyl)methylidene]-1-propylpiperidin-1-ium-4-one Traditional Name: (3Z,5E)-3,5-bis(3-hydroxybenzylidene)-1-propyl-piperidin-1-ium-4-one Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-2-9-23-14-18(10-16-5-3-7-20(24)12-16)22(26)19(15-23)11-17-6-4-8-21(25)13-17/h3-8,10-13,24-25H,2,9,14-15H2,1H3/p+1/b18-10-,19-11+