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

Systemtic Name: 2-azanyl-1-[3,4-bis(oxidanyl)phenyl]-3,3-dimethyl-butan-1-one hydrochloride Openeye Name: 2-amino-1-(3,4-dihydroxyphenyl)-3,3-dimethyl-butan-1-one hydrochloride CAS Name: 2-amino-1-(3,4-dihydroxyphenyl)-3,3-dimethyl-1-butanone hydrochloride IUPAC Name: 2-amino-1-(3,4-dihydroxyphenyl)-3,3-dimethylbutan-1-one hydrochloride Traditional Name: 2-amino-1-(3,4-dihydroxyphenyl)-3,3-dimethyl-butan-1-one hydrochloride Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3.ClH/c1-12(2,3)11(13)10(16)7-4-5-8(14)9(15)6-7;/h4-6,11,14-15H,13H2,1-3H3;1H