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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CS4)O)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CS4)O)C5=CC=CC=N5

InChI

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