2,2-diphenylethanoate; trimethyl-(2-oxidanyl-1-phenyl-ethyl)azanium; hydrobromide

Systemtic Name: 2,2-diphenylethanoate; trimethyl-(2-oxidanyl-1-phenyl-ethyl)azanium; hydrobromide Openeye Name: 2,2-diphenylacetate; (2-hydroxy-1-phenyl-ethyl)-trimethyl-ammonium; hydrobromide CAS Name: 2,2-diphenylacetate; (2-hydroxy-1-phenylethyl)-trimethylammonium; hydrobromide IUPAC Name: 2,2-diphenylacetate; (2-hydroxy-1-phenylethyl)-trimethylazanium; hydrobromide Traditional Name: 2,2-diphenylacetate; (2-hydroxy-1-phenyl-ethyl)-trimethyl-ammonium; hydrobromide Formula: C25H30BrNO3 MolecularWeight: 472.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O2.C11H18NO.BrH/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-12(2,3)11(9-13)10-7-5-4-6-8-10;/h1-10,13H,(H,15,16);4-8,11,13H,9H2,1-3H3;1H/q;+1;/p-1