[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 3-methylbenzoate

Systemtic Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 3-methylbenzoate Openeye Name: [(3R)-quinuclidin-1-ium-3-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(3R)-quinuclidin-1-ium-3-yl] ester Formula: C15H20NO2+ MolecularWeight: 246.3248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2C[NH+]3CCC2CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C15H19NO2/c1-11-3-2-4-13(9-11)15(17)18-14-10-16-7-5-12(14)6-8-16/h2-4,9,12,14H,5-8,10H2,1H3/p+1/t14-/m0/s1