1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-piperidin-1-ium-1-yl-pentan-1-one chloride

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-piperidin-1-ium-1-yl-pentan-1-one chloride Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-piperidin-1-ium-1-yl-pentan-1-one chloride CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-5-(1-piperidin-1-iumyl)-1-pentanone chloride IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-5-piperidin-1-ium-1-ylpentan-1-one chloride Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-piperidin-1-ium-1-yl-pentan-1-one chloride Formula: C24H40ClNO2 MolecularWeight: 410.0329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CCCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CCCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C24H39NO2.ClH/c1-23(2,3)19-16-18(17-20(22(19)27)24(4,5)6)21(26)12-8-11-15-25-13-9-7-10-14-25;/h16-17,27H,7-15H2,1-6H3;1H