[(3S)-1-azabicyclo[2.2.2]octan-3-yl] 2-oxidanylidene-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 2-oxidanylidene-4-phenyl-piperidine-4-carboxylate Openeye Name: [(3S)-quinuclidin-3-yl] 2-oxo-4-phenyl-piperidine-4-carboxylate CAS Name: 2-oxo-4-phenyl-4-piperidinecarboxylic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 2-oxo-4-phenylpiperidine-4-carboxylate Traditional Name: 2-keto-4-phenyl-isonipecotic acid [(3S)-quinuclidin-3-yl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C3(CCNC(=O)C3)C4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1[C@@H](C2)OC(=O)C3(CCNC(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C19H24N2O3/c22-17-12-19(8-9-20-17,15-4-2-1-3-5-15)18(23)24-16-13-21-10-6-14(16)7-11-21/h1-5,14,16H,6-13H2,(H,20,22)/t16-,19?/m1/s1