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

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-ylsulfanyl)-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-quinuclidin-3-ylsulfanyl-propanoic acid CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-ylthio)-3-phenylpropanoic acid IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-ylsulfanyl)-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-(quinuclidin-3-ylthio)propionic acid Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2S/c18-16(19)14(10-12-4-2-1-3-5-12)20-15-11-17-8-6-13(15)7-9-17/h1-5,13-15H,6-11H2,(H,18,19)