ethyl (2S)-3-azoniabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: ethyl (2S)-3-azoniabicyclo[2.2.2]octane-2-carboxylate Openeye Name: ethyl (2S)-3-azoniabicyclo[2.2.2]octane-2-carboxylate CAS Name: (2S)-3-azoniabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S)-3-azoniabicyclo[2.2.2]octane-2-carboxylate Traditional Name: (2S)-3-azoniabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester Formula: C10H18NO2+ MolecularWeight: 184.25542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC([NH2+]1)CC2

Isomeric SMILES

CCOC(=O)[C@@H]1C2CCC([NH2+]1)CC2

InChI

InChI=1S/C10H17NO2/c1-2-13-10(12)9-7-3-5-8(11-9)6-4-7/h7-9,11H,2-6H2,1H3/p+1/t7?,8?,9-/m0/s1