4,7,8-tris(oxidanyl)-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride

Systemtic Name: 4,7,8-tris(oxidanyl)-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride Openeye Name: 4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride CAS Name: 4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride IUPAC Name: 4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride Traditional Name: 4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride Formula: C9H10ClNO4 MolecularWeight: 231.633

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C(=C(C=C2)O)O)C(=O)[NH2+]1)O.[Cl-]

Isomeric SMILES

C1C(C2=C(C(=C(C=C2)O)O)C(=O)[NH2+]1)O.[Cl-]

InChI

InChI=1S/C9H9NO4.ClH/c11-5-2-1-4-6(12)3-10-9(14)7(4)8(5)13;/h1-2,6,11-13H,3H2,(H,10,14);1H