methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfanylmethyl)-3-phenyl-propanoate

Systemtic Name: methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfanylmethyl)-3-phenyl-propanoate Openeye Name: methyl 2-benzyl-3-quinuclidin-3-ylsulfanyl-propanoate CAS Name: 2-[(1-azabicyclo[2.2.2]octan-3-ylthio)methyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfanylmethyl)-3-phenylpropanoate Traditional Name: 2-benzyl-3-(quinuclidin-3-ylthio)propionic acid methyl ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)CSC2CN3CCC2CC3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)CSC2CN3CCC2CC3

InChI

InChI=1S/C18H25NO2S/c1-21-18(20)16(11-14-5-3-2-4-6-14)13-22-17-12-19-9-7-15(17)8-10-19/h2-6,15-17H,7-13H2,1H3