2-(1-methylpiperidin-1-ium-1-yl)ethanol; 2-oxidanyl-2,2-diphenyl-ethanoate; hydroiodide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethanol; 2-oxidanyl-2,2-diphenyl-ethanoate; hydroiodide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; hydroiodide CAS Name: 2-hydroxy-2,2-diphenylacetate; 2-(1-methyl-1-piperidin-1-iumyl)ethanol; hydroiodide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; hydroiodide Traditional Name: benzilate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; hydroiodide Formula: C22H30INO4 MolecularWeight: 499.38237

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.I

Isomeric SMILES

C[N+]1(CCCCC1)CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.I

InChI

InChI=1S/C14H12O3.C8H18NO.HI/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-9(7-8-10)5-3-2-4-6-9;/h1-10,17H,(H,15,16);10H,2-8H2,1H3;1H/q;+1;/p-1