1-[3,4-bis(oxidanyl)phenyl]-2-(diethylamino)ethanone chloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(diethylamino)ethanone chloride Openeye Name: 2-(diethylamino)-1-(3,4-dihydroxyphenyl)ethanone chloride CAS Name: 2-(diethylamino)-1-(3,4-dihydroxyphenyl)ethanone chloride IUPAC Name: 2-(diethylamino)-1-(3,4-dihydroxyphenyl)ethanone chloride Traditional Name: 2-(diethylamino)-1-(3,4-dihydroxyphenyl)ethanone chloride Formula: C12H17ClNO3- MolecularWeight: 258.72128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)C1=CC(=C(C=C1)O)O.[Cl-]

Isomeric SMILES

CCN(CC)CC(=O)C1=CC(=C(C=C1)O)O.[Cl-]

InChI

InChI=1S/C12H17NO3.ClH/c1-3-13(4-2)8-12(16)9-5-6-10(14)11(15)7-9;/h5-7,14-15H,3-4,8H2,1-2H3;1H/p-1