ethyl (2S)-1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: ethyl (2S)-1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate Openeye Name: ethyl (2S)-1-methylquinuclidin-1-ium-2-carboxylate CAS Name: (2S)-1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate Traditional Name: (2S)-1-methylquinuclidin-1-ium-2-carboxylic acid ethyl ester Formula: C11H20NO2+ MolecularWeight: 198.282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CC[N+]1(CC2)C

Isomeric SMILES

CCOC(=O)[C@@H]1CC2CC[N+]1(CC2)C

InChI

InChI=1S/C11H20NO2/c1-3-14-11(13)10-8-9-4-6-12(10,2)7-5-9/h9-10H,3-8H2,1-2H3/q+1/t9?,10-,12?/m0/s1