methyl (3S)-1-azoniabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: methyl (3S)-1-azoniabicyclo[2.2.2]octane-3-carboxylate Openeye Name: methyl (3S)-quinuclidin-1-ium-3-carboxylate CAS Name: (3S)-1-azoniabicyclo[2.2.2]octane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-1-azoniabicyclo[2.2.2]octane-3-carboxylate Traditional Name: (3S)-quinuclidin-1-ium-3-carboxylic acid methyl ester Formula: C9H16NO2+ MolecularWeight: 170.22884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+]2CCC1CC2

Isomeric SMILES

COC(=O)[C@@H]1C[NH+]2CCC1CC2

InChI

InChI=1S/C9H15NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h7-8H,2-6H2,1H3/p+1/t8-/m1/s1