2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]ethyl-dodecyl-dimethyl-azanium bromide

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]ethyl-dodecyl-dimethyl-azanium bromide Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]ethyl-dodecyl-dimethyl-ammonium bromide CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropoxy]ethyl-dodecyl-dimethylammonium bromide IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl-dodecyl-dimethylazanium bromide Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]ethyl-lauryl-dimethyl-ammonium bromide Formula: C33H60BrNO3 MolecularWeight: 598.7384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.[Br-]

InChI

InChI=1S/C33H59NO3.BrH/c1-10-11-12-13-14-15-16-17-18-19-22-34(8,9)23-24-37-30(35)21-20-27-25-28(32(2,3)4)31(36)29(26-27)33(5,6)7;/h25-26H,10-24H2,1-9H3;1H