1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenethylsulfanyl-ethanone

Systemtic Name: 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenethylsulfanyl-ethanone Openeye Name: 1-[3-(hydroxymethyl)-1-piperidyl]-2-phenethylsulfanyl-ethanone CAS Name: 1-[3-(hydroxymethyl)-1-piperidinyl]-2-(phenethylthio)ethanone IUPAC Name: 1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenethylsulfanylethanone Traditional Name: 1-(3-methylolpiperidino)-2-(phenethylthio)ethanone Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCCC2=CC=CC=C2)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)CSCCC2=CC=CC=C2)CO

InChI

InChI=1S/C16H23NO2S/c18-12-15-7-4-9-17(11-15)16(19)13-20-10-8-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2