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

Systemtic Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one Openeye Name: 2-[3-(hydroxymethyl)-1-piperidyl]-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one CAS Name: 2-[3-(hydroxymethyl)-1-piperidinyl]-2-methyl-1-[4-(methylthio)phenyl]-1-propanone IUPAC Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one Traditional Name: 2-methyl-2-(3-methylolpiperidino)-1-[4-(methylthio)phenyl]propan-1-one Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2S/c1-17(2,18-10-4-5-13(11-18)12-19)16(20)14-6-8-15(21-3)9-7-14/h6-9,13,19H,4-5,10-12H2,1-3H3