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

Systemtic Name: [(3R)-1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate Openeye Name: [(3R)-1-butylquinuclidin-1-ium-3-yl] acetate CAS Name: acetic acid [(3R)-1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl] acetate Traditional Name: acetic acid [(3R)-1-butylquinuclidin-1-ium-3-yl] ester Formula: C13H24NO2+ MolecularWeight: 226.33516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]12CCC(CC1)C(C2)OC(=O)C

Isomeric SMILES

CCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C

InChI

InChI=1S/C13H24NO2/c1-3-4-7-14-8-5-12(6-9-14)13(10-14)16-11(2)15/h12-13H,3-10H2,1-2H3/q+1/t12?,13-,14?/m0/s1