2-hydroxyethyl-dimethyl-propyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; hydrobromide

Systemtic Name: 2-hydroxyethyl-dimethyl-propyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; hydrobromide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; 2-hydroxyethyl-dimethyl-propyl-ammonium; hydrobromide CAS Name: 2-hydroxy-2,2-diphenylacetate; 2-hydroxyethyl-dimethyl-propylammonium; hydrobromide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; 2-hydroxyethyl-dimethyl-propylazanium; hydrobromide Traditional Name: benzilate; 2-hydroxyethyl-dimethyl-propyl-ammonium; hydrobromide Formula: C21H30BrNO4 MolecularWeight: 440.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C7H18NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-5-8(2,3)6-7-9;/h1-10,17H,(H,15,16);9H,4-7H2,1-3H3;1H/q;+1;/p-1