(2E)-2-[(4-hydroxyphenyl)methylidene]-6-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-one chloride

Systemtic Name: (2E)-2-[(4-hydroxyphenyl)methylidene]-6-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-one chloride Openeye Name: (2E)-2-[(4-hydroxyphenyl)methylene]-6-(piperidin-1-ium-1-ylmethyl)cyclohexanone chloride CAS Name: (2E)-2-[(4-hydroxyphenyl)methylidene]-6-(1-piperidin-1-iumylmethyl)-1-cyclohexanone chloride IUPAC Name: (2E)-2-[(4-hydroxyphenyl)methylidene]-6-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-one chloride Traditional Name: (2E)-2-(4-hydroxybenzylidene)-6-(piperidin-1-ium-1-ylmethyl)cyclohexanone chloride Formula: C19H26ClNO2 MolecularWeight: 335.86824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2CCCC(=CC3=CC=C(C=C3)O)C2=O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2CCC/C(=C\C3=CC=C(C=C3)O)/C2=O.[Cl-]

InChI

InChI=1S/C19H25NO2.ClH/c21-18-9-7-15(8-10-18)13-16-5-4-6-17(19(16)22)14-20-11-2-1-3-12-20;/h7-10,13,17,21H,1-6,11-12,14H2;1H/b16-13+;