1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-(1,2,3-triazol-1-yl)ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-(1,2,3-triazol-1-yl)ethanoate Openeye Name: quinuclidin-3-yl 2-phenyl-2-(triazol-1-yl)acetate CAS Name: 2-phenyl-2-(1-triazolyl)acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-(triazol-1-yl)acetate Traditional Name: 2-phenyl-2-(triazol-1-yl)acetic acid quinuclidin-3-yl ester Formula: C17H20N4O2 MolecularWeight: 312.3663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)N4C=CN=N4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)N4C=CN=N4

InChI

InChI=1S/C17H20N4O2/c22-17(23-15-12-20-9-6-13(15)7-10-20)16(21-11-8-18-19-21)14-4-2-1-3-5-14/h1-5,8,11,13,15-16H,6-7,9-10,12H2