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

Systemtic Name: 2-ethynyl-6-(3-oxidanylpropylsulfanyl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-hydroxypropylsulfanyl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-hydroxypropylthio)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-hydroxypropylsulfanyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-hydroxypropylthio)-3-(3-pyridyl)quinuclidin-3-ol Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)SCCCO)(C3=CN=CC=C3)O)CC4=CC=CC=C4

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)SCCCO)(C3=CN=CC=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2S/c1-2-23(17-19-8-4-3-5-9-19)24(28,21-10-6-12-25-18-21)20-11-13-26(23)22(16-20)29-15-7-14-27/h1,3-6,8-10,12,18,20,22,27-28H,7,11,13-17H2