2-(1-methyl-1-propyl-pyrrolidin-1-ium-2-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32NO3.HI/c1-3-17-25(2)18-10-15-22(25)16-19-28-23(26)24(27,20-11-6-4-7-12-20)21-13-8-5-9-14-21;/h4-9,11-14,22,27H,3,10,15-19H2,1-2H3;1H/q+1;/p-1