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

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-oxidanyl-2,2-diphenyl-propanoate iodide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 3-hydroxy-2,2-diphenyl-propanoate iodide CAS Name: 3-hydroxy-2,2-diphenylpropanoic 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) 3-hydroxy-2,2-diphenylpropanoate iodide Traditional Name: 3-hydroxy-2,2-diphenyl-propionic acid (1-methylquinuclidin-1-ium-3-yl) ester iodide Formula: C23H28INO3 MolecularWeight: 493.37779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28NO3.HI/c1-24-14-12-18(13-15-24)21(16-24)27-22(26)23(17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-11,18,21,25H,12-17H2,1H3;1H/q+1;/p-1