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

Systemtic Name: (3Z,5E)-1-ethyl-3,5-bis[(3-hydroxyphenyl)methylidene]piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-ethyl-3,5-bis[(3-hydroxyphenyl)methylene]piperidin-1-ium-4-one CAS Name: (3Z,5E)-1-ethyl-3,5-bis[(3-hydroxyphenyl)methylidene]-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-ethyl-3,5-bis[(3-hydroxyphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-ethyl-3,5-bis(3-hydroxybenzylidene)piperidin-1-ium-4-one Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-2-22-13-17(9-15-5-3-7-19(23)11-15)21(25)18(14-22)10-16-6-4-8-20(24)12-16/h3-12,23-24H,2,13-14H2,1H3/p+1/b17-9-,18-10+