2-hydroxyethyl-dimethyl-phenacyl-azanium ethanoate hydrobromide

Systemtic Name: 2-hydroxyethyl-dimethyl-phenacyl-azanium ethanoate hydrobromide Openeye Name: 2-hydroxyethyl-dimethyl-phenacyl-ammonium acetate hydrobromide CAS Name: 2-hydroxyethyl-dimethyl-phenacylammonium acetate hydrobromide IUPAC Name: 2-hydroxyethyl-dimethyl-phenacylazanium acetate hydrobromide Traditional Name: 2-hydroxyethyl-dimethyl-phenacyl-ammonium acetate hydrobromide Formula: C14H22BrNO4 MolecularWeight: 348.23278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO2.C2H4O2.BrH/c1-13(2,8-9-14)10-12(15)11-6-4-3-5-7-11;1-2(3)4;/h3-7,14H,8-10H2,1-2H3;1H3,(H,3,4);1H/q+1;;/p-1