[(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate iodide

Systemtic Name: [(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate iodide Openeye Name: [(3S)-1-methylquinuclidin-1-ium-3-yl] benzoate iodide CAS Name: benzoic acid [(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester iodide IUPAC Name: [(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate iodide Traditional Name: benzoic acid [(3S)-1-methylquinuclidin-1-ium-3-yl] ester iodide Formula: C15H20INO2 MolecularWeight: 373.22927

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)[C@@H](C2)OC(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C15H20NO2.HI/c1-16-9-7-12(8-10-16)14(11-16)18-15(17)13-5-3-2-4-6-13;/h2-6,12,14H,7-11H2,1H3;1H/q+1;/p-1/t12?,14-,16?;/m1./s1