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

Systemtic Name: [(3R)-3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate Openeye Name: [(3R)-3-cyanoquinuclidin-1-ium-3-yl] benzoate CAS Name: benzoic acid [(3R)-3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate Traditional Name: benzoic acid [(3R)-3-cyanoquinuclidin-1-ium-3-yl] ester Formula: C15H17N2O2+ MolecularWeight: 257.30768

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)(C#N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+]2CCC1[C@@](C2)(C#N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H16N2O2/c16-10-15(11-17-8-6-13(15)7-9-17)19-14(18)12-4-2-1-3-5-12/h1-5,13H,6-9,11H2/p+1/t15-/m0/s1