2,11,12-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide

Systemtic Name: 2,11,12-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide Openeye Name: 2,11,12-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide CAS Name: 2,11,12-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide IUPAC Name: 2,11,12-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide Traditional Name: 2,11,12-trimethoxyisoquinolin[2,1-b]isoquinolin-7-ium-3,9-diol bromide Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C[N+]3=C(C2=C1)C=C4C(=C3)C(=CC(=C4OC)OC)O)O.[Br-]

Isomeric SMILES

COC1=C(C=C2C=C[N+]3=C(C2=C1)C=C4C(=C3)C(=CC(=C4OC)OC)O)O.[Br-]

InChI

InChI=1S/C20H17NO5.BrH/c1-24-18-8-12-11(6-17(18)23)4-5-21-10-14-13(7-15(12)21)20(26-3)19(25-2)9-16(14)22;/h4-10H,1-3H3,(H,22,23);1H