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

Systemtic Name: 6-(4-chloranylbutoxy)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-6-(4-chlorobutoxy)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 6-(4-chlorobutoxy)-2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-6-(4-chlorobutoxy)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-6-(4-chlorobutoxy)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H29ClN2O2 MolecularWeight: 424.96296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O2/c1-2-24(18-20-9-4-3-5-10-20)25(29,22-11-8-14-27-19-22)21-12-15-28(24)23(17-21)30-16-7-6-13-26/h1,3-5,8-11,14,19,21,23,29H,6-7,12-13,15-18H2