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

Systemtic Name: 2-ethynyl-6-(3-oxidanylpyrrolidin-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-hydroxypyrrolidin-1-yl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-hydroxy-1-pyrrolidinyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-hydroxypyrrolidin-1-yl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-hydroxypyrrolidino)-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)N3CCC(C3)O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)N3CCC(C3)O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H29N3O2/c1-2-24(16-19-7-4-3-5-8-19)25(30,21-9-6-12-26-17-21)20-10-14-28(24)23(15-20)27-13-11-22(29)18-27/h1,3-9,12,17,20,22-23,29-30H,10-11,13-16,18H2