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

Systemtic Name: 2-ethynyl-3-(phenylmethyl)-2-piperidin-1-yl-6-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 3-benzyl-2-ethynyl-2-(1-piperidyl)-6-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-3-(phenylmethyl)-2-(1-piperidinyl)-6-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 3-benzyl-2-ethynyl-2-piperidin-1-yl-6-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 3-benzyl-2-ethynyl-2-piperidino-6-(3-pyridyl)quinuclidin-3-ol Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)C3=CN=CC=C3)(CC4=CC=CC=C4)O)N5CCCCC5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)C3=CN=CC=C3)(CC4=CC=CC=C4)O)N5CCCCC5

InChI

InChI=1S/C26H31N3O/c1-2-26(28-15-7-4-8-16-28)25(30,19-21-10-5-3-6-11-21)23-13-17-29(26)24(18-23)22-12-9-14-27-20-22/h1,3,5-6,9-12,14,20,23-24,30H,4,7-8,13,15-19H2