3,10,11-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide

Systemtic Name: 3,10,11-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide Openeye Name: 3,10,11-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide CAS Name: 3,10,11-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide IUPAC Name: 3,10,11-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide Traditional Name: 3,10,11-trimethoxyisoquinolin[2,1-b]isoquinolin-7-ium-2,9-diol bromide Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)O)OC)C=C2C(=C1OC)O.[Br-]

Isomeric SMILES

COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)O)OC)C=C2C(=C1OC)O.[Br-]

InChI

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