2-(4-methylmorpholin-4-ium-4-yl)ethanol; 2-oxidanyl-2,2-diphenyl-ethanoate; hydroiodide

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)ethanol; 2-oxidanyl-2,2-diphenyl-ethanoate; hydroiodide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; 2-(4-methylmorpholin-4-ium-4-yl)ethanol; hydroiodide CAS Name: 2-hydroxy-2,2-diphenylacetate; 2-(4-methyl-4-morpholin-4-iumyl)ethanol; hydroiodide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; 2-(4-methylmorpholin-4-ium-4-yl)ethanol; hydroiodide Traditional Name: benzilate; 2-(4-methylmorpholin-4-ium-4-yl)ethanol; hydroiodide Formula: C21H28INO5 MolecularWeight: 501.35519

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.I

Isomeric SMILES

C[N+]1(CCOCC1)CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.I

InChI

InChI=1S/C14H12O3.C7H16NO2.HI/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-8(2-5-9)3-6-10-7-4-8;/h1-10,17H,(H,15,16);9H,2-7H2,1H3;1H/q;+1;/p-1