[2-methyl-3-(4-oxidanylidene-4-phenoxy-butyl)tridecan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-(4-oxidanylidene-4-phenoxy-butyl)tridecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-(4-oxo-4-phenoxy-butyl)dodecyl]ammonium bromide CAS Name: [2-methyl-3-(4-oxo-4-phenoxybutyl)tridecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-(4-oxo-4-phenoxybutyl)tridecan-2-yl]azanium bromide Traditional Name: [2-(4-keto-4-phenoxy-butyl)-1,1-dimethyl-dodecyl]ammonium bromide Formula: C24H42BrNO2 MolecularWeight: 456.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41NO2.BrH/c1-4-5-6-7-8-9-10-12-16-21(24(2,3)25)17-15-20-23(26)27-22-18-13-11-14-19-22;/h11,13-14,18-19,21H,4-10,12,15-17,20,25H2,1-3H3;1H