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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CC[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C22H28NO3.HI/c1-3-23(2)16-10-15-20(23)17-26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19;/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3;1H/q+1;/p-1