ethyl 1-(4-phenylsulfanylbutyl)piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 1-(4-phenylsulfanylbutyl)piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 1-(4-phenylsulfanylbutyl)piperidine-4-carboxylate hydrochloride CAS Name: 1-[4-(phenylthio)butyl]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-(4-phenylsulfanylbutyl)piperidine-4-carboxylate hydrochloride Traditional Name: 1-[4-(phenylthio)butyl]isonipecotic acid ethyl ester hydrochloride Formula: C18H28ClNO2S MolecularWeight: 357.93842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CCCCSC2=CC=CC=C2.Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CCCCSC2=CC=CC=C2.Cl

InChI

InChI=1S/C18H27NO2S.ClH/c1-2-21-18(20)16-10-13-19(14-11-16)12-6-7-15-22-17-8-4-3-5-9-17;/h3-5,8-9,16H,2,6-7,10-15H2,1H3;1H