[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate iodide

Systemtic Name: [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate iodide Openeye Name: [(3R)-1-methylquinuclidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate iodide CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester iodide IUPAC Name: [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate iodide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3R)-1-methylquinuclidin-1-ium-3-yl] ester iodide Formula: C22H26INO3 MolecularWeight: 479.35121

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[I-]

InChI

InChI=1S/C22H26NO3.HI/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1/t17?,20-,23?;/m0./s1