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

Systemtic Name: 2-ethynyl-2-(3-methoxypropylamino)-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 4-benzyl-2-ethynyl-2-(3-methoxypropylamino)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-2-(3-methoxypropylamino)-4-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 4-benzyl-2-ethynyl-2-(3-methoxypropylamino)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 4-benzyl-2-ethynyl-2-(3-methoxypropylamino)-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H31N3O2 MolecularWeight: 405.53254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C#C

Isomeric SMILES

COCCCNC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C#C

InChI

InChI=1S/C25H31N3O2/c1-3-24(27-15-8-18-30-2)25(29,22-11-7-14-26-20-22)23(12-16-28(24)17-13-23)19-21-9-5-4-6-10-21/h1,4-7,9-11,14,20,27,29H,8,12-13,15-19H2,2H3