1-[2-(hydroxymethyl)piperidin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[2-(hydroxymethyl)-1-piperidyl]-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 1-[2-(hydroxymethyl)-1-piperidinyl]-2-[(4-methylphenyl)methylthio]ethanone IUPAC Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone Traditional Name: 2-[(4-methylbenzyl)thio]-1-(2-methylolpiperidino)ethanone Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCCCC2CO

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCCCC2CO

InChI

InChI=1S/C16H23NO2S/c1-13-5-7-14(8-6-13)11-20-12-16(19)17-9-3-2-4-15(17)10-18/h5-8,15,18H,2-4,9-12H2,1H3