2-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyano-butanoate

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyano-butanoate Openeye Name: 2-cyano-2-quinuclidin-3-yl-butanoate CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanobutanoate IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanobutanoate Traditional Name: 2-cyano-2-quinuclidin-3-yl-butyrate Formula: C12H17N2O2- MolecularWeight: 221.27558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1CN2CCC1CC2)C(=O)[O-]

Isomeric SMILES

CCC(C#N)(C1CN2CCC1CC2)C(=O)[O-]

InChI

InChI=1S/C12H18N2O2/c1-2-12(8-13,11(15)16)10-7-14-5-3-9(10)4-6-14/h9-10H,2-7H2,1H3,(H,15,16)/p-1