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

Systemtic Name: [(3R)-1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate Openeye Name: [(3R)-1-ethylquinuclidin-1-ium-3-yl] benzoate CAS Name: benzoic acid [(3R)-1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate Traditional Name: benzoic acid [(3R)-1-ethylquinuclidin-1-ium-3-yl] ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[N+]12CCC(CC1)[C@H](C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H22NO2/c1-2-17-10-8-13(9-11-17)15(12-17)19-16(18)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3/q+1/t13?,15-,17?/m0/s1