1-[3-(hydroxymethyl)piperidin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[3-(hydroxymethyl)piperidin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[3-(hydroxymethyl)-1-piperidyl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[3-(hydroxymethyl)-1-piperidinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[3-(hydroxymethyl)piperidin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-(3-methylolpiperidino)-4-(phenylthio)butan-1-one Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCSC2=CC=CC=C2)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)CCCSC2=CC=CC=C2)CO

InChI

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