1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-(4-m-anisyl-4-methylol-piperidino)-2-(4-pyridylthio)ethanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCN(CC2)C(=O)CSC3=CC=NC=C3)CO

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CCN(CC2)C(=O)CSC3=CC=NC=C3)CO

InChI

InChI=1S/C21H26N2O3S/c1-26-18-4-2-3-17(13-18)14-21(16-24)7-11-23(12-8-21)20(25)15-27-19-5-9-22-10-6-19/h2-6,9-10,13,24H,7-8,11-12,14-16H2,1H3