1-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(hydroxymethyl)-4-phenethyl-piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(hydroxymethyl)-4-phenethyl-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[4-(hydroxymethyl)-4-phenethyl-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[4-(hydroxymethyl)-4-phenethylpiperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-(4-methylol-4-phenethyl-piperidino)-2-(4-pyridylthio)ethanone Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CCC2=CC=CC=C2)CO)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1(CCC2=CC=CC=C2)CO)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C21H26N2O2S/c24-17-21(9-6-18-4-2-1-3-5-18)10-14-23(15-11-21)20(25)16-26-19-7-12-22-13-8-19/h1-5,7-8,12-13,24H,6,9-11,14-17H2