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

Systemtic Name: 2-ethynyl-6-(3-oxidanylpiperidin-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-hydroxy-1-piperidyl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-hydroxy-1-piperidinyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-hydroxypiperidin-1-yl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-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(C2CCN1C(C2)N3CCCC(C3)O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)N3CCCC(C3)O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

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