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

Systemtic Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[2-(hydroxymethyl)-1-piperidyl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[2-(hydroxymethyl)-1-piperidinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 2-[(3-methylbenzyl)thio]-1-(2-methylolpiperidino)ethanone Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2S/c1-13-5-4-6-14(9-13)11-20-12-16(19)17-8-3-2-7-15(17)10-18/h4-6,9,15,18H,2-3,7-8,10-12H2,1H3