ethyl 1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate iodide

Systemtic Name: ethyl 1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate iodide Openeye Name: ethyl 1-methylquinuclidin-1-ium-2-carboxylate iodide CAS Name: 1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate iodide Traditional Name: 1-methylquinuclidin-1-ium-2-carboxylic acid ethyl ester iodide Formula: C11H20INO2 MolecularWeight: 325.18647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20NO2.HI/c1-3-14-11(13)10-8-9-4-6-12(10,2)7-5-9;/h9-10H,3-8H2,1-2H3;1H/q+1;/p-1