3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxypropyl-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxypropyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxypropyl]-dimethyl-ammonium chloride CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]propyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[3-(3,5-ditert-butyl-4-hydroxybenzoyl)oxypropyl]-dimethylazanium chloride Traditional Name: benzyl-[3-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxypropyl]-dimethyl-ammonium chloride Formula: C27H40ClNO3 MolecularWeight: 462.0644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C27H39NO3.ClH/c1-26(2,3)22-17-21(18-23(24(22)29)27(4,5)6)25(30)31-16-12-15-28(7,8)19-20-13-10-9-11-14-20;/h9-11,13-14,17-18H,12,15-16,19H2,1-8H3;1H