methyl 1-methyl-1-azoniabicyclo[2.2.2]octane-3-carboxylate iodide

Systemtic Name: methyl 1-methyl-1-azoniabicyclo[2.2.2]octane-3-carboxylate iodide Openeye Name: methyl 1-methylquinuclidin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-1-azoniabicyclo[2.2.2]octane-3-carboxylic acid methyl ester iodide IUPAC Name: methyl 1-methyl-1-azoniabicyclo[2.2.2]octane-3-carboxylate iodide Traditional Name: 1-methylquinuclidin-1-ium-3-carboxylic acid methyl ester iodide Formula: C10H18INO2 MolecularWeight: 311.15989

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)C(=O)OC.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)C(=O)OC.[I-]

InChI

InChI=1S/C10H18NO2.HI/c1-11-5-3-8(4-6-11)9(7-11)10(12)13-2;/h8-9H,3-7H2,1-2H3;1H/q+1;/p-1