2-ethynyl-4-(phenylmethyl)-2-pyridin-3-yl-3-(1,3-thiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-4-(phenylmethyl)-2-pyridin-3-yl-3-(1,3-thiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 4-benzyl-2-ethynyl-2-(3-pyridyl)-3-thiazol-5-yl-quinuclidin-3-ol CAS Name: 2-ethynyl-4-(phenylmethyl)-2-(3-pyridinyl)-3-(5-thiazolyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 4-benzyl-2-ethynyl-2-pyridin-3-yl-3-(1,3-thiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 4-benzyl-2-ethynyl-2-(3-pyridyl)-3-thiazol-5-yl-quinuclidin-3-ol Formula: C24H23N3OS MolecularWeight: 401.52392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CS4)O)C5=CN=CC=C5

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CS4)O)C5=CN=CC=C5

InChI

InChI=1S/C24H23N3OS/c1-2-23(20-9-6-12-25-16-20)24(28,21-17-26-18-29-21)22(10-13-27(23)14-11-22)15-19-7-4-3-5-8-19/h1,3-9,12,16-18,28H,10-11,13-15H2