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

Systemtic Name: 2-hydroxyethyl-dimethyl-nonyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; hydrobromide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; 2-hydroxyethyl-dimethyl-nonyl-ammonium; hydrobromide CAS Name: 2-hydroxy-2,2-diphenylacetate; 2-hydroxyethyl-dimethyl-nonylammonium; hydrobromide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; 2-hydroxyethyl-dimethyl-nonylazanium; hydrobromide Traditional Name: benzilate; 2-hydroxyethyl-dimethyl-nonyl-ammonium; hydrobromide Formula: C27H42BrNO4 MolecularWeight: 524.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C13H30NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-5-6-7-8-9-10-11-14(2,3)12-13-15;/h1-10,17H,(H,15,16);15H,4-13H2,1-3H3;1H/q;+1;/p-1