2-(1-azabicyclo[2.2.2]octan-3-ylsulfanylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-ylsulfanylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-quinuclidin-3-ylsulfanyl-propanoic acid CAS Name: 2-[(1-azabicyclo[2.2.2]octan-3-ylthio)methyl]-3-phenylpropanoic acid IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-ylsulfanylmethyl)-3-phenylpropanoic acid Traditional Name: 2-benzyl-3-(quinuclidin-3-ylthio)propionic acid Formula: C17H23NO2S MolecularWeight: 305.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)SCC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)SCC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H23NO2S/c19-17(20)15(10-13-4-2-1-3-5-13)12-21-16-11-18-8-6-14(16)7-9-18/h1-5,14-16H,6-12H2,(H,19,20)