[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-cyclobutyl-azanium chloride

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-cyclobutyl-azanium chloride Openeye Name: cyclobutyl-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]ammonium chloride CAS Name: cyclobutyl-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]ammonium chloride IUPAC Name: cyclobutyl-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]azanium chloride Traditional Name: cyclobutyl-[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]ammonium chloride Formula: C12H16ClNO3 MolecularWeight: 257.71334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH2+]CC(=O)C2=CC(=C(C=C2)O)O.[Cl-]

Isomeric SMILES

C1CC(C1)[NH2+]CC(=O)C2=CC(=C(C=C2)O)O.[Cl-]

InChI

InChI=1S/C12H15NO3.ClH/c14-10-5-4-8(6-11(10)15)12(16)7-13-9-2-1-3-9;/h4-6,9,13-15H,1-3,7H2;1H