9H-fluoren-9-yl [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] carbonate iodide

Systemtic Name: 9H-fluoren-9-yl [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] carbonate iodide Openeye Name: 9H-fluoren-9-yl [(3R)-1-methylquinuclidin-1-ium-3-yl] carbonate iodide CAS Name: carbonic acid 9H-fluoren-9-yl [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester iodide IUPAC Name: 9H-fluoren-9-yl [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] carbonate iodide Traditional Name: carbonic acid 9H-fluoren-9-yl [(3R)-1-methylquinuclidin-1-ium-3-yl] ester iodide Formula: C22H24INO3 MolecularWeight: 477.33533

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)OC3C4=CC=CC=C4C5=CC=CC=C35.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)[C@H](C2)OC(=O)OC3C4=CC=CC=C4C5=CC=CC=C35.[I-]

InChI

InChI=1S/C22H24NO3.HI/c1-23-12-10-15(11-13-23)20(14-23)25-22(24)26-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21;/h2-9,15,20-21H,10-14H2,1H3;1H/q+1;/p-1/t15?,20-,23?;/m0./s1