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

Systemtic Name: 2-ethynyl-4-(phenylmethyl)-3-pyridin-3-yl-2-thiomorpholin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 4-benzyl-2-ethynyl-3-(3-pyridyl)-2-thiomorpholino-quinuclidin-3-ol CAS Name: 2-ethynyl-4-(phenylmethyl)-3-(3-pyridinyl)-2-thiomorpholin-4-yl-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 4-benzyl-2-ethynyl-3-pyridin-3-yl-2-thiomorpholin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 4-benzyl-2-ethynyl-3-(3-pyridyl)-2-thiomorpholino-quinuclidin-3-ol Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)N5CCSCC5

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)N5CCSCC5

InChI

InChI=1S/C25H29N3OS/c1-2-24(28-15-17-30-18-16-28)25(29,22-9-6-12-26-20-22)23(10-13-27(24)14-11-23)19-21-7-4-3-5-8-21/h1,3-9,12,20,29H,10-11,13-19H2