1,2,3,4,10-pentamethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide

Systemtic Name: 1,2,3,4,10-pentamethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Openeye Name: 1,2,3,4,10-pentamethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide CAS Name: 1,2,3,4,10-pentamethoxy-9-isoquinolino[2,1-b]isoquinolin-7-iumol bromide IUPAC Name: 1,2,3,4,10-pentamethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Traditional Name: 1,2,3,4,10-pentamethoxyisoquinolin[2,1-b]isoquinolin-7-ium-9-ol bromide Formula: C22H22BrNO6 MolecularWeight: 476.31718

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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(=C4OC)OC)OC)OC)O.[Br-]

Isomeric SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C=C3)C(=C(C(=C4OC)OC)OC)OC)O.[Br-]

InChI

InChI=1S/C22H21NO6.BrH/c1-25-16-7-6-12-10-15-17-13(8-9-23(15)11-14(12)18(16)24)19(26-2)21(28-4)22(29-5)20(17)27-3;/h6-11H,1-5H3;1H