2-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-[4-(3-oxidanylpropylsulfanyl)phenyl]propan-1-one

Systemtic Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-[4-(3-oxidanylpropylsulfanyl)phenyl]propan-1-one Openeye Name: 2-[3-(hydroxymethyl)-1-piperidyl]-1-[4-(3-hydroxypropylsulfanyl)phenyl]-2-methyl-propan-1-one CAS Name: 2-[3-(hydroxymethyl)-1-piperidinyl]-1-[4-(3-hydroxypropylthio)phenyl]-2-methyl-1-propanone IUPAC Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-1-[4-(3-hydroxypropylsulfanyl)phenyl]-2-methylpropan-1-one Traditional Name: 1-[4-(3-hydroxypropylthio)phenyl]-2-methyl-2-(3-methylolpiperidino)propan-1-one Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)SCCCO)N2CCCC(C2)CO

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)SCCCO)N2CCCC(C2)CO

InChI

InChI=1S/C19H29NO3S/c1-19(2,20-10-3-5-15(13-20)14-22)18(23)16-6-8-17(9-7-16)24-12-4-11-21/h6-9,15,21-22H,3-5,10-14H2,1-2H3