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

Systemtic Name: 6-(4-ethoxypiperidin-1-yl)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-6-(4-ethoxy-1-piperidyl)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 6-(4-ethoxy-1-piperidinyl)-2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-6-(4-ethoxypiperidin-1-yl)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-6-(4-ethoxypiperidino)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCN(CC1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

CCOC1CCN(CC1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

InChI

InChI=1S/C28H35N3O2/c1-3-27(20-22-9-6-5-7-10-22)28(32,24-11-8-15-29-21-24)23-12-18-31(27)26(19-23)30-16-13-25(14-17-30)33-4-2/h1,5-11,15,21,23,25-26,32H,4,12-14,16-20H2,2H3