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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3.ClH/c1-5-10(15-14(2,3)4)13(18)9-6-7-11(16)12(17)8-9;/h6-8,10,15-17H,5H2,1-4H3;1H