2-hydroxyethyl-dimethyl-phenacyl-azanium bromide ethanoate

Systemtic Name: 2-hydroxyethyl-dimethyl-phenacyl-azanium bromide ethanoate Openeye Name: 2-hydroxyethyl-dimethyl-phenacyl-ammonium acetate bromide CAS Name: 2-hydroxyethyl-dimethyl-phenacylammonium acetate bromide IUPAC Name: 2-hydroxyethyl-dimethyl-phenacylazanium acetate bromide Traditional Name: 2-hydroxyethyl-dimethyl-phenacyl-ammonium acetate bromide Formula: C14H21BrNO4- MolecularWeight: 347.22484

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-2