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

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate iodide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl ester iodide Formula: C21H26INO3 MolecularWeight: 467.34051

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]

Isomeric SMILES

C[N+]1(CCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C21H26NO3.HI/c1-22(14-8-9-15-22)16-17-25-20(23)21(24,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,24H,8-9,14-17H2,1H3;1H/q+1;/p-1