1-butyl-2-(hydroxymethyl)-5-phenylsulfanyl-piperidine-3,4-diol

Systemtic Name: 1-butyl-2-(hydroxymethyl)-5-phenylsulfanyl-piperidine-3,4-diol Openeye Name: 1-butyl-2-(hydroxymethyl)-5-phenylsulfanyl-piperidine-3,4-diol CAS Name: 1-butyl-2-(hydroxymethyl)-5-(phenylthio)piperidine-3,4-diol IUPAC Name: 1-butyl-2-(hydroxymethyl)-5-phenylsulfanylpiperidine-3,4-diol Traditional Name: 1-butyl-2-methylol-5-(phenylthio)piperidine-3,4-diol Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(C(C(C1CO)O)O)SC2=CC=CC=C2

Isomeric SMILES

CCCCN1CC(C(C(C1CO)O)O)SC2=CC=CC=C2

InChI

InChI=1S/C16H25NO3S/c1-2-3-9-17-10-14(16(20)15(19)13(17)11-18)21-12-7-5-4-6-8-12/h4-8,13-16,18-20H,2-3,9-11H2,1H3