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

Systemtic Name: 2-ethynyl-6-(3-oxidanylazetidin-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-hydroxyazetidin-1-yl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-hydroxy-1-azetidinyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-hydroxyazetidin-1-yl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-hydroxyazetidin-1-yl)-3-(3-pyridyl)quinuclidin-3-ol Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)N3CC(C3)O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)N3CC(C3)O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C24H27N3O2/c1-2-23(14-18-7-4-3-5-8-18)24(29,20-9-6-11-25-15-20)19-10-12-27(23)22(13-19)26-16-21(28)17-26/h1,3-9,11,15,19,21-22,28-29H,10,12-14,16-17H2