2-ethynyl-6-(4-oxidanylbut-1-ynyl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-6-(4-oxidanylbut-1-ynyl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(4-hydroxybut-1-ynyl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(4-hydroxybut-1-ynyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(4-hydroxybut-1-ynyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(4-hydroxybut-1-ynyl)-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2/c1-2-24(18-20-9-4-3-5-10-20)25(29,22-11-8-14-26-19-22)21-13-15-27(24)23(17-21)12-6-7-16-28/h1,3-5,8-11,14,19,21,23,28-29H,7,13,15-18H2