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

Systemtic Name: decyl-(2-hydroxyethyl)-dimethyl-azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide Openeye Name: decyl-(2-hydroxyethyl)-dimethyl-ammonium; 2-hydroxy-2,2-diphenyl-acetate; bromide CAS Name: decyl-(2-hydroxyethyl)-dimethylammonium; 2-hydroxy-2,2-diphenylacetate; bromide IUPAC Name: decyl-(2-hydroxyethyl)-dimethylazanium; 2-hydroxy-2,2-diphenylacetate; bromide Traditional Name: benzilate; decyl-(2-hydroxyethyl)-dimethyl-ammonium; bromide Formula: C28H43BrNO4- MolecularWeight: 537.54932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H32NO.C14H12O3.BrH/c1-4-5-6-7-8-9-10-11-12-15(2,3)13-14-16;15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h16H,4-14H2,1-3H3;1-10,17H,(H,15,16);1H/q+1;;/p-2