1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-pyridin-2-yl-pent-3-ynoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-pyridin-2-yl-pent-3-ynoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-(2-pyridyl)pent-3-ynoate CAS Name: 2-hydroxy-2-(2-pyridinyl)-3-pentynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-pyridin-2-ylpent-3-ynoate Traditional Name: 2-hydroxy-2-(2-pyridyl)pent-3-ynoic acid quinuclidin-3-yl ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1=CC=CC=N1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

CC#CC(C1=CC=CC=N1)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C17H20N2O3/c1-2-8-17(21,15-5-3-4-9-18-15)16(20)22-14-12-19-10-6-13(14)7-11-19/h3-5,9,13-14,21H,6-7,10-12H2,1H3