2-hydroxyethyl-dimethyl-octyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide

Systemtic Name: 2-hydroxyethyl-dimethyl-octyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; 2-hydroxyethyl-dimethyl-octyl-ammonium; bromide CAS Name: 2-hydroxy-2,2-diphenylacetate; 2-hydroxyethyl-dimethyl-octylammonium; bromide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; 2-hydroxyethyl-dimethyl-octylazanium; bromide Traditional Name: benzilate; 2-hydroxyethyl-dimethyl-octyl-ammonium; bromide Formula: C26H39BrNO4- MolecularWeight: 509.49616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C12H28NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-5-6-7-8-9-10-13(2,3)11-12-14;/h1-10,17H,(H,15,16);14H,4-12H2,1-3H3;1H/q;+1;/p-2