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

Systemtic Name: 2-(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide Openeye Name: 2-(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate iodide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1-ethyl-1-methyl-2-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)ethyl ester iodide Formula: C23H30INO3 MolecularWeight: 495.39367

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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)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO3.HI/c1-3-24(2)17-10-15-21(24)16-18-27-22(25)23(26,19-11-6-4-7-12-19)20-13-8-5-9-14-20;/h4-9,11-14,21,26H,3,10,15-18H2,1-2H3;1H/q+1;/p-1