[(3S)-1-azabicyclo[2.2.2]octan-3-yl] 4-methylbenzoate

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 4-methylbenzoate Openeye Name: [(3S)-quinuclidin-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(3S)-quinuclidin-3-yl] ester Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CN3CCC2CC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H]2CN3CCC2CC3

InChI

InChI=1S/C15H19NO2/c1-11-2-4-13(5-3-11)15(17)18-14-10-16-8-6-12(14)7-9-16/h2-5,12,14H,6-10H2,1H3/t14-/m1/s1