1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-oxidanyl-hex-3-ynoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-oxidanyl-hex-3-ynoate Openeye Name: quinuclidin-3-yl 2-cyclopentyl-2-hydroxy-hex-3-ynoate CAS Name: 2-cyclopentyl-2-hydroxy-3-hexynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxyhex-3-ynoate Traditional Name: 2-cyclopentyl-2-hydroxy-hex-3-ynoic acid quinuclidin-3-yl ester Formula: C18H27NO3 MolecularWeight: 305.41188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

CCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C18H27NO3/c1-2-3-10-18(21,15-6-4-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h14-16,21H,2,4-9,11-13H2,1H3