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

Systemtic Name: [2-methyl-3-(4-oxidanylidene-4-phenoxy-butyl)pentadecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-(4-oxo-4-phenoxy-butyl)tetradecyl]ammonium bromide CAS Name: [2-methyl-3-(4-oxo-4-phenoxybutyl)pentadecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-(4-oxo-4-phenoxybutyl)pentadecan-2-yl]azanium bromide Traditional Name: [2-(4-keto-4-phenoxy-butyl)-1,1-dimethyl-tetradecyl]ammonium bromide Formula: C26H46BrNO2 MolecularWeight: 484.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO2.BrH/c1-4-5-6-7-8-9-10-11-12-14-18-23(26(2,3)27)19-17-22-25(28)29-24-20-15-13-16-21-24;/h13,15-16,20-21,23H,4-12,14,17-19,22,27H2,1-3H3;1H