2-ethynyl-3-(phenylmethyl)-2-pyridin-2-yl-5-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-3-(phenylmethyl)-2-pyridin-2-yl-5-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 3-benzyl-2-ethynyl-2-(2-pyridyl)-5-(3-thienyl)quinuclidin-3-ol CAS Name: 2-ethynyl-3-(phenylmethyl)-2-(2-pyridinyl)-5-(3-thiophenyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 3-benzyl-2-ethynyl-2-pyridin-2-yl-5-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 3-benzyl-2-ethynyl-2-(2-pyridyl)-5-(3-thienyl)quinuclidin-3-ol Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2C3=CSC=C3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2CCN1CC2C3=CSC=C3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

InChI

InChI=1S/C25H24N2OS/c1-2-24(23-10-6-7-13-26-23)25(28,16-19-8-4-3-5-9-19)22-11-14-27(24)17-21(22)20-12-15-29-18-20/h1,3-10,12-13,15,18,21-22,28H,11,14,16-17H2