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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3.ClH/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;/h5-8,10,14-16H,4H2,1-3H3;1H