[(3S)-3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate

Systemtic Name: [(3S)-3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate Openeye Name: [(3S)-3-cyanoquinuclidin-1-ium-3-yl] acetate CAS Name: acetic acid [(3S)-3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-3-cyano-1-azoniabicyclo[2.2.2]octan-3-yl] acetate Traditional Name: acetic acid [(3S)-3-cyanoquinuclidin-1-ium-3-yl] ester Formula: C10H15N2O2+ MolecularWeight: 195.2383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C[NH+]2CCC1CC2)C#N

Isomeric SMILES

CC(=O)O[C@@]1(C[NH+]2CCC1CC2)C#N

InChI

InChI=1S/C10H14N2O2/c1-8(13)14-10(6-11)7-12-4-2-9(10)3-5-12/h9H,2-5,7H2,1H3/p+1/t10-/m1/s1