3,4,10-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-1,9-diol bromide

Systemtic Name: 3,4,10-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-1,9-diol bromide Openeye Name: 3,4,10-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-1,9-diol bromide CAS Name: 3,4,10-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-1,9-diol bromide IUPAC Name: 3,4,10-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-1,9-diol bromide Traditional Name: 3,4,10-trimethoxyisoquinolin[2,1-b]isoquinolin-7-ium-1,9-diol bromide Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C=C3)C(=C(C=C4O)OC)OC)O.[Br-]

Isomeric SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C=C3)C(=C(C=C4O)OC)OC)O.[Br-]

InChI

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