[2-[3,5-bis(3-methylbutanoyloxy)phenyl]-2-oxidanylidene-ethyl]-tert-butyl-azanium chloride

Systemtic Name: [2-[3,5-bis(3-methylbutanoyloxy)phenyl]-2-oxidanylidene-ethyl]-tert-butyl-azanium chloride Openeye Name: [2-[3,5-bis(3-methylbutanoyloxy)phenyl]-2-oxo-ethyl]-tert-butyl-ammonium chloride CAS Name: [2-[3,5-bis(3-methyl-1-oxobutoxy)phenyl]-2-oxoethyl]-tert-butylammonium chloride IUPAC Name: [2-[3,5-bis(3-methylbutanoyloxy)phenyl]-2-oxoethyl]-tert-butylazanium chloride Traditional Name: tert-butyl-[2-(3,5-diisovaleryloxyphenyl)-2-keto-ethyl]ammonium chloride Formula: C22H34ClNO5 MolecularWeight: 427.96206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC(=CC(=C1)C(=O)C[NH2+]C(C)(C)C)OC(=O)CC(C)C.[Cl-]

Isomeric SMILES

CC(C)CC(=O)OC1=CC(=CC(=C1)C(=O)C[NH2+]C(C)(C)C)OC(=O)CC(C)C.[Cl-]

InChI

InChI=1S/C22H33NO5.ClH/c1-14(2)8-20(25)27-17-10-16(19(24)13-23-22(5,6)7)11-18(12-17)28-21(26)9-15(3)4;/h10-12,14-15,23H,8-9,13H2,1-7H3;1H