1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethanone chloride

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethanone chloride Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethanone chloride CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethanone chloride IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethanone chloride Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(1-pyrrolin-1-ium-2-ylamino)ethanone chloride Formula: C20H31ClN2O2 MolecularWeight: 366.92534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CNC2=[NH+]CCC2.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CNC2=[NH+]CCC2.[Cl-]

InChI

InChI=1S/C20H30N2O2.ClH/c1-19(2,3)14-10-13(11-15(18(14)24)20(4,5)6)16(23)12-22-17-8-7-9-21-17;/h10-11,24H,7-9,12H2,1-6H3,(H,21,22);1H