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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-3-(tert-butylamino)-2-methyl-propan-1-one hydrochloride Openeye Name: 3-(tert-butylamino)-1-(3,4-dihydroxyphenyl)-2-methyl-propan-1-one hydrochloride CAS Name: 3-(tert-butylamino)-1-(3,4-dihydroxyphenyl)-2-methyl-1-propanone hydrochloride IUPAC Name: 3-(tert-butylamino)-1-(3,4-dihydroxyphenyl)-2-methylpropan-1-one hydrochloride Traditional Name: 3-(tert-butylamino)-1-(3,4-dihydroxyphenyl)-2-methyl-propan-1-one hydrochloride Formula: C14H22ClNO3 MolecularWeight: 287.78238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3.ClH/c1-9(8-15-14(2,3)4)13(18)10-5-6-11(16)12(17)7-10;/h5-7,9,15-17H,8H2,1-4H3;1H