2-oxidanyl-2,2-diphenyl-ethanoate; trimethyl-(2-oxidanyl-1-phenyl-ethyl)azanium; bromide

Systemtic Name: 2-oxidanyl-2,2-diphenyl-ethanoate; trimethyl-(2-oxidanyl-1-phenyl-ethyl)azanium; bromide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; (2-hydroxy-1-phenyl-ethyl)-trimethyl-ammonium; bromide CAS Name: 2-hydroxy-2,2-diphenylacetate; (2-hydroxy-1-phenylethyl)-trimethylammonium; bromide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; (2-hydroxy-1-phenylethyl)-trimethylazanium; bromide Traditional Name: benzilate; (2-hydroxy-1-phenyl-ethyl)-trimethyl-ammonium; bromide Formula: C25H29BrNO4- MolecularWeight: 487.40606

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CO)C1=CC=CC=C1.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

Isomeric SMILES

C[N+](C)(C)C(CO)C1=CC=CC=C1.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

InChI

InChI=1S/C14H12O3.C11H18NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-12(2,3)11(9-13)10-7-5-4-6-8-10;/h1-10,17H,(H,15,16);4-8,11,13H,9H2,1-3H3;1H/q;+1;/p-2