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

Systemtic Name: (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]-1,1-dimethyl-piperidin-1-ium-4-one iodide Openeye Name: (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylene]-1,1-dimethyl-piperidin-1-ium-4-one iodide CAS Name: (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]-1,1-dimethyl-4-piperidin-1-iumone iodide IUPAC Name: (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide Traditional Name: (3E,5E)-3,5-bis(4-hydroxybenzylidene)-1,1-dimethyl-piperidin-1-ium-4-one iodide Formula: C21H22INO3 MolecularWeight: 463.30875

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=CC2=CC=C(C=C2)O)C(=O)C(=CC3=CC=C(C=C3)O)C1)C.[I-]

Isomeric SMILES

C[N+]1(C/C(=C\C2=CC=C(C=C2)O)/C(=O)/C(=C/C3=CC=C(C=C3)O)/C1)C.[I-]

InChI

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