2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide

Systemtic Name: 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide Openeye Name: 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate iodide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1,1-dimethyl-2-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethyl ester iodide Formula: C22H28INO3 MolecularWeight: 481.36709

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

C[N+]1(CCCC1CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C22H28NO3.HI/c1-23(2)16-9-14-20(23)15-17-26-21(24)22(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-13,20,25H,9,14-17H2,1-2H3;1H/q+1;/p-1