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

Systemtic Name: decyl-[2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]ethyl]-dimethyl-azanium bromide Openeye Name: decyl-[2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]ethyl]-dimethyl-ammonium bromide CAS Name: decyl-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropoxy]ethyl]-dimethylammonium bromide IUPAC Name: decyl-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-dimethylazanium bromide Traditional Name: decyl-[2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]ethyl]-dimethyl-ammonium bromide Formula: C31H56BrNO3 MolecularWeight: 570.68524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55NO3.BrH/c1-10-11-12-13-14-15-16-17-20-32(8,9)21-22-35-28(33)19-18-25-23-26(30(2,3)4)29(34)27(24-25)31(5,6)7;/h23-24H,10-22H2,1-9H3;1H