1-[3,4-bis(oxidanyl)phenyl]-2-(tert-butylamino)propan-1-one hydrochloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(tert-butylamino)propan-1-one hydrochloride Openeye Name: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)propan-1-one hydrochloride CAS Name: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)-1-propanone hydrochloride IUPAC Name: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)propan-1-one hydrochloride Traditional Name: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)propan-1-one hydrochloride Formula: C13H20ClNO3 MolecularWeight: 273.7558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)O)O)NC(C)(C)C.Cl

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)O)O)NC(C)(C)C.Cl

InChI

InChI=1S/C13H19NO3.ClH/c1-8(14-13(2,3)4)12(17)9-5-6-10(15)11(16)7-9;/h5-8,14-16H,1-4H3;1H