2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxyethyl-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxyethyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxyethyl]-dimethyl-ammonium chloride CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]ethyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyethyl]-dimethylazanium chloride Traditional Name: benzyl-[2-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxyethyl]-dimethyl-ammonium chloride Formula: C26H38ClNO3 MolecularWeight: 448.03782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO3.ClH/c1-25(2,3)21-16-20(17-22(23(21)28)26(4,5)6)24(29)30-15-14-27(7,8)18-19-12-10-9-11-13-19;/h9-13,16-17H,14-15,18H2,1-8H3;1H