butyl-(2-hydroxyethyl)-dimethyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide

Systemtic Name: butyl-(2-hydroxyethyl)-dimethyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide Openeye Name: butyl-(2-hydroxyethyl)-dimethyl-ammonium; 2-hydroxy-2,2-diphenyl-acetate; bromide CAS Name: butyl-(2-hydroxyethyl)-dimethylammonium; 2-hydroxy-2,2-diphenylacetate; bromide IUPAC Name: butyl-(2-hydroxyethyl)-dimethylazanium; 2-hydroxy-2,2-diphenylacetate; bromide Traditional Name: benzilate; butyl-(2-hydroxyethyl)-dimethyl-ammonium; bromide Formula: C22H31BrNO4- MolecularWeight: 453.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C8H20NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-5-6-9(2,3)7-8-10;/h1-10,17H,(H,15,16);10H,4-8H2,1-3H3;1H/q;+1;/p-2