[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-(hydroxymethyl)-3-methylsulfanyl-2-phenyl-propanoate

Systemtic Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-(hydroxymethyl)-3-methylsulfanyl-2-phenyl-propanoate Openeye Name: [(3R)-quinuclidin-3-yl] 2-(hydroxymethyl)-3-methylsulfanyl-2-phenyl-propanoate CAS Name: 2-(hydroxymethyl)-3-(methylthio)-2-phenylpropanoic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-(hydroxymethyl)-3-methylsulfanyl-2-phenylpropanoate Traditional Name: 2-methylol-3-(methylthio)-2-phenyl-propionic acid [(3R)-quinuclidin-3-yl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3

Isomeric SMILES

CSCC(CO)(C1=CC=CC=C1)C(=O)O[C@H]2CN3CCC2CC3

InChI

InChI=1S/C18H25NO3S/c1-23-13-18(12-20,15-5-3-2-4-6-15)17(21)22-16-11-19-9-7-14(16)8-10-19/h2-6,14,16,20H,7-13H2,1H3/t16-,18?/m0/s1