1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanyl-piperidin-4-yl]propan-1-one hydrochloride

Systemtic Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanyl-piperidin-4-yl]propan-1-one hydrochloride Openeye Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-piperidyl]propan-1-one hydrochloride CAS Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-piperidinyl]-1-propanone hydrochloride IUPAC Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxypiperidin-4-yl]propan-1-one hydrochloride Traditional Name: 1-(1-homoveratryl-2-hydroxy-4-piperidyl)propan-1-one hydrochloride Formula: C18H28ClNO4 MolecularWeight: 357.87222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCN(C(C1)O)CCC2=CC(=C(C=C2)OC)OC.Cl

Isomeric SMILES

CCC(=O)C1CCN(C(C1)O)CCC2=CC(=C(C=C2)OC)OC.Cl

InChI

InChI=1S/C18H27NO4.ClH/c1-4-15(20)14-8-10-19(18(21)12-14)9-7-13-5-6-16(22-2)17(11-13)23-3;/h5-6,11,14,18,21H,4,7-10,12H2,1-3H3;1H