2,3,4,11,12-pentamethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide

Systemtic Name: 2,3,4,11,12-pentamethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Openeye Name: 2,3,4,11,12-pentamethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide CAS Name: 2,3,4,11,12-pentamethoxy-9-isoquinolino[2,1-b]isoquinolin-7-iumol bromide IUPAC Name: 2,3,4,11,12-pentamethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Traditional Name: 2,3,4,11,12-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(C(=C2C=C[N+]3=C(C2=C1)C=C4C(=C3)C(=CC(=C4OC)OC)O)OC)OC.[Br-]

Isomeric SMILES

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

InChI

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