dodecyl-dimethyl-(1-oxidanylidene-1-phenyl-propan-2-yl)azanium bromide

Systemtic Name: dodecyl-dimethyl-(1-oxidanylidene-1-phenyl-propan-2-yl)azanium bromide Openeye Name: dodecyl-dimethyl-(1-methyl-2-oxo-2-phenyl-ethyl)ammonium bromide CAS Name: dodecyl-dimethyl-(1-oxo-1-phenylpropan-2-yl)ammonium bromide IUPAC Name: dodecyl-dimethyl-(1-oxo-1-phenylpropan-2-yl)azanium bromide Traditional Name: (2-keto-1-methyl-2-phenyl-ethyl)-lauryl-dimethyl-ammonium bromide Formula: C23H40BrNO MolecularWeight: 426.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO.BrH/c1-5-6-7-8-9-10-11-12-13-17-20-24(3,4)21(2)23(25)22-18-15-14-16-19-22;/h14-16,18-19,21H,5-13,17,20H2,1-4H3;1H/q+1;/p-1