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

Systemtic Name: 2-(1,1-diethylpyrrolidin-1-ium-2-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide Openeye Name: 2-(1,1-diethylpyrrolidin-1-ium-2-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate iodide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1,1-diethyl-2-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1,1-diethylpyrrolidin-1-ium-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(1,1-diethylpyrrolidin-1-ium-2-yl)ethyl ester iodide Formula: C24H32INO3 MolecularWeight: 509.42025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32NO3.HI/c1-3-25(4-2)18-11-16-22(25)17-19-28-23(26)24(27,20-12-7-5-8-13-20)21-14-9-6-10-15-21;/h5-10,12-15,22,27H,3-4,11,16-19H2,1-2H3;1H/q+1;/p-1