(3,5-ditert-butylphenyl)methyl-(5-oxidanyl-5-oxidanylidene-pentyl)azanium chloride

Systemtic Name: (3,5-ditert-butylphenyl)methyl-(5-oxidanyl-5-oxidanylidene-pentyl)azanium chloride Openeye Name: (3,5-ditert-butylphenyl)methyl-(5-hydroxy-5-oxo-pentyl)ammonium chloride CAS Name: (3,5-ditert-butylphenyl)methyl-(5-hydroxy-5-oxopentyl)ammonium chloride IUPAC Name: (3,5-ditert-butylphenyl)methyl-(5-hydroxy-5-oxopentyl)azanium chloride Traditional Name: (3,5-ditert-butylbenzyl)-(5-hydroxy-5-keto-pentyl)ammonium chloride Formula: C20H34ClNO2 MolecularWeight: 355.94246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO2.ClH/c1-19(2,3)16-11-15(12-17(13-16)20(4,5)6)14-21-10-8-7-9-18(22)23;/h11-13,21H,7-10,14H2,1-6H3,(H,22,23);1H