diethyl-(2-hydroxyethyl)-methyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; iodide

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; iodide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 2-hydroxy-2,2-diphenyl-acetate; iodide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 2-hydroxy-2,2-diphenylacetate; iodide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 2-hydroxy-2,2-diphenylacetate; iodide Traditional Name: benzilate; diethyl-(2-hydroxyethyl)-methyl-ammonium; iodide Formula: C21H29INO4- MolecularWeight: 486.36373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C7H18NO.HI/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-8(3,5-2)6-7-9;/h1-10,17H,(H,15,16);9H,4-7H2,1-3H3;1H/q;+1;/p-2