dimethyl-(1-oxidanylidene-1-phenoxy-hexadecan-3-yl)azanium bromide

Systemtic Name: dimethyl-(1-oxidanylidene-1-phenoxy-hexadecan-3-yl)azanium bromide Openeye Name: dimethyl-[1-(2-oxo-2-phenoxy-ethyl)tetradecyl]ammonium bromide CAS Name: dimethyl-(1-oxo-1-phenoxyhexadecan-3-yl)ammonium bromide IUPAC Name: dimethyl-(1-oxo-1-phenoxyhexadecan-3-yl)azanium bromide Traditional Name: 1-(2-keto-2-phenoxy-ethyl)tetradecyl-dimethyl-ammonium bromide Formula: C24H42BrNO2 MolecularWeight: 456.49978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)OC1=CC=CC=C1)[NH+](C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)OC1=CC=CC=C1)[NH+](C)C.[Br-]

InChI

InChI=1S/C24H41NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-15-18-22(25(2)3)21-24(26)27-23-19-16-14-17-20-23;/h14,16-17,19-20,22H,4-13,15,18,21H2,1-3H3;1H