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

Systemtic Name: [(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate Openeye Name: [(3S)-1-methylquinuclidin-1-ium-3-yl] acetate CAS Name: acetic acid [(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] acetate Traditional Name: acetic acid [(3S)-1-methylquinuclidin-1-ium-3-yl] ester Formula: C10H18NO2+ MolecularWeight: 184.25542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[N+]2(CCC1CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C10H18NO2/c1-8(12)13-10-7-11(2)5-3-9(10)4-6-11/h9-10H,3-7H2,1-2H3/q+1/t9?,10-,11?/m1/s1