heptyl-(2-hydroxyethyl)-dimethyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; hydrobromide

Systemtic Name: heptyl-(2-hydroxyethyl)-dimethyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; hydrobromide Openeye Name: heptyl-(2-hydroxyethyl)-dimethyl-ammonium; 2-hydroxy-2,2-diphenyl-acetate; hydrobromide CAS Name: heptyl-(2-hydroxyethyl)-dimethylammonium; 2-hydroxy-2,2-diphenylacetate; hydrobromide IUPAC Name: heptyl-(2-hydroxyethyl)-dimethylazanium; 2-hydroxy-2,2-diphenylacetate; hydrobromide Traditional Name: benzilate; heptyl-(2-hydroxyethyl)-dimethyl-ammonium; hydrobromide Formula: C25H38BrNO4 MolecularWeight: 496.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C11H26NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-5-6-7-8-9-12(2,3)10-11-13;/h1-10,17H,(H,15,16);13H,4-11H2,1-3H3;1H/q;+1;/p-1