[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-ethoxybenzoate

Systemtic Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-ethoxybenzoate Openeye Name: [(3R)-quinuclidin-1-ium-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(3R)-quinuclidin-1-ium-3-yl] ester Formula: C16H22NO3+ MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2C[NH+]3CCC2CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)O[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C16H21NO3/c1-2-19-14-5-3-13(4-6-14)16(18)20-15-11-17-9-7-12(15)8-10-17/h3-6,12,15H,2,7-11H2,1H3/p+1/t15-/m0/s1