trimethyl-(3-oxidanylidene-3-phenyl-propyl)azanium bromide

Systemtic Name: trimethyl-(3-oxidanylidene-3-phenyl-propyl)azanium bromide Openeye Name: trimethyl-(3-oxo-3-phenyl-propyl)ammonium bromide CAS Name: trimethyl-(3-oxo-3-phenylpropyl)ammonium bromide IUPAC Name: trimethyl-(3-oxo-3-phenylpropyl)azanium bromide Traditional Name: (3-keto-3-phenyl-propyl)-trimethyl-ammonium bromide Formula: C12H18BrNO MolecularWeight: 272.18142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO.BrH/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1