(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2,2-diphenylethanoate iodide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2,2-diphenylethanoate iodide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 2,2-diphenylacetate iodide CAS Name: 2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester iodide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2,2-diphenylacetate iodide Traditional Name: 2,2-diphenylacetic acid (1-methylquinuclidin-1-ium-3-yl) ester iodide Formula: C22H26INO2 MolecularWeight: 463.35181

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO2.HI/c1-23-14-12-17(13-15-23)20(16-23)25-22(24)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20-21H,12-16H2,1H3;1H/q+1;/p-1