[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-methyl-azanium chloride

Systemtic Name: [3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-methyl-azanium chloride Openeye Name: [1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]-methyl-ammonium chloride CAS Name: [3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]-methylammonium chloride IUPAC Name: [3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]-methylazanium chloride Traditional Name: (2-hydroxy-2-keto-1-protocatechuyl-ethyl)-methyl-ammonium chloride Formula: C10H14ClNO4 MolecularWeight: 247.67546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(CC1=CC(=C(C=C1)O)O)C(=O)O.[Cl-]

Isomeric SMILES

C[NH2+]C(CC1=CC(=C(C=C1)O)O)C(=O)O.[Cl-]

InChI

InChI=1S/C10H13NO4.ClH/c1-11-7(10(14)15)4-6-2-3-8(12)9(13)5-6;/h2-3,5,7,11-13H,4H2,1H3,(H,14,15);1H