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

Systemtic Name: 2-ethynyl-2-(4-oxidanylpiperidin-1-yl)-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 4-benzyl-2-ethynyl-2-(4-hydroxy-1-piperidyl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-2-(4-hydroxy-1-piperidinyl)-4-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 4-benzyl-2-ethynyl-2-(4-hydroxypiperidin-1-yl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 4-benzyl-2-ethynyl-2-(4-hydroxypiperidino)-3-(3-pyridyl)quinuclidin-3-ol Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)N5CCC(CC5)O

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)N5CCC(CC5)O

InChI

InChI=1S/C26H31N3O2/c1-2-25(28-15-10-23(30)11-16-28)26(31,22-9-6-14-27-20-22)24(12-17-29(25)18-13-24)19-21-7-4-3-5-8-21/h1,3-9,14,20,23,30-31H,10-13,15-19H2