[2-methyl-3-(2-oxidanylidene-2-phenoxy-ethyl)pentadecan-2-yl]azanium bromide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(=O)OC1=CC=CC=C1)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC(CC(=O)OC1=CC=CC=C1)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C24H41NO2.BrH/c1-4-5-6-7-8-9-10-11-12-14-17-21(24(2,3)25)20-23(26)27-22-18-15-13-16-19-22;/h13,15-16,18-19,21H,4-12,14,17,20,25H2,1-3H3;1H