5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol bromide

Systemtic Name: 5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol bromide Openeye Name: 5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol bromide CAS Name: 5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol bromide IUPAC Name: 5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol bromide Traditional Name: 5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol bromide Formula: C17H14BrNO4 MolecularWeight: 376.20136

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=C(C=C3C=CC(=C(C3=C2)O)O)C4=CC(=C(C=C41)O)O.[Br-]

Isomeric SMILES

C1C[N+]2=C(C=C3C=CC(=C(C3=C2)O)O)C4=CC(=C(C=C41)O)O.[Br-]

InChI

InChI=1S/C17H13NO4.BrH/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22;/h1-2,5-8H,3-4H2,(H3,19,20,21,22);1H