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

Systemtic Name: 2-ethynyl-6-(3-methoxypropyl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-methoxypropyl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-methoxypropyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-methoxypropyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-methoxypropyl)-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

Isomeric SMILES

COCCCC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

InChI

InChI=1S/C25H30N2O2/c1-3-24(18-20-9-5-4-6-10-20)25(28,22-11-7-14-26-19-22)21-13-15-27(24)23(17-21)12-8-16-29-2/h1,4-7,9-11,14,19,21,23,28H,8,12-13,15-18H2,2H3