1-(3-methyl-4-octylsulfanyl-phenyl)-2-piperidin-1-yl-ethanol

Systemtic Name: 1-(3-methyl-4-octylsulfanyl-phenyl)-2-piperidin-1-yl-ethanol Openeye Name: 1-(3-methyl-4-octylsulfanyl-phenyl)-2-(1-piperidyl)ethanol CAS Name: 1-[3-methyl-4-(octylthio)phenyl]-2-(1-piperidinyl)ethanol IUPAC Name: 1-(3-methyl-4-octylsulfanylphenyl)-2-piperidin-1-ylethanol Traditional Name: 1-[3-methyl-4-(octylthio)phenyl]-2-piperidino-ethanol Formula: C22H37NOS MolecularWeight: 363.60028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C=C(C=C1)C(CN2CCCCC2)O)C

Isomeric SMILES

CCCCCCCCSC1=C(C=C(C=C1)C(CN2CCCCC2)O)C

InChI

InChI=1S/C22H37NOS/c1-3-4-5-6-7-11-16-25-22-13-12-20(17-19(22)2)21(24)18-23-14-9-8-10-15-23/h12-13,17,21,24H,3-11,14-16,18H2,1-2H3