2,2-dimethoxy-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propane-1,3-diol

Systemtic Name: 2,2-dimethoxy-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propane-1,3-diol Openeye Name: 2,2-dimethoxy-1-(3-phenylsulfanylquinuclidin-3-yl)propane-1,3-diol CAS Name: 2,2-dimethoxy-1-[3-(phenylthio)-1-azabicyclo[2.2.2]octan-3-yl]propane-1,3-diol IUPAC Name: 2,2-dimethoxy-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propane-1,3-diol Traditional Name: 2,2-dimethoxy-1-[3-(phenylthio)quinuclidin-3-yl]propane-1,3-diol Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

COC(CO)(C(C1(CN2CCC1CC2)SC3=CC=CC=C3)O)OC

Isomeric SMILES

COC(CO)(C(C1(CN2CCC1CC2)SC3=CC=CC=C3)O)OC

InChI

InChI=1S/C18H27NO4S/c1-22-18(13-20,23-2)16(21)17(24-15-6-4-3-5-7-15)12-19-10-8-14(17)9-11-19/h3-7,14,16,20-21H,8-13H2,1-2H3