2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-6-thiomorpholin-4-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-6-thiomorpholin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-3-(3-pyridyl)-6-thiomorpholino-quinuclidin-3-ol CAS Name: 2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-6-thiomorpholin-4-yl-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-3-pyridin-3-yl-6-thiomorpholin-4-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-3-(3-pyridyl)-6-thiomorpholino-quinuclidin-3-ol Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)N3CCSCC3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)N3CCSCC3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

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