dodecyl-dimethyl-[2-(2-oxidanylidene-2-phenyl-ethanoyl)phenyl]azanium bromide

Systemtic Name: dodecyl-dimethyl-[2-(2-oxidanylidene-2-phenyl-ethanoyl)phenyl]azanium bromide Openeye Name: dodecyl-dimethyl-[2-(2-oxo-2-phenyl-acetyl)phenyl]ammonium bromide CAS Name: [2-(1,2-dioxo-2-phenylethyl)phenyl]-dodecyl-dimethylammonium bromide IUPAC Name: dodecyl-dimethyl-[2-(2-oxo-2-phenylacetyl)phenyl]azanium bromide Traditional Name: [2-(2-keto-2-phenyl-acetyl)phenyl]-lauryl-dimethyl-ammonium bromide Formula: C28H40BrNO2 MolecularWeight: 502.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C1=CC=CC=C1C(=O)C(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C1=CC=CC=C1C(=O)C(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C28H40NO2.BrH/c1-4-5-6-7-8-9-10-11-12-18-23-29(2,3)26-22-17-16-21-25(26)28(31)27(30)24-19-14-13-15-20-24;/h13-17,19-22H,4-12,18,23H2,1-3H3;1H/q+1;/p-1