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

Systemtic Name: 3,10-diethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Openeye Name: 3,10-diethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide CAS Name: 3,10-diethoxy-9-isoquinolino[2,1-b]isoquinolin-7-iumol bromide IUPAC Name: 3,10-diethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Traditional Name: 3,10-diethoxyisoquinolin[2,1-b]isoquinolin-7-ium-9-ol bromide Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C3=[N+](C=C2)C=C4C(=C3)C=CC(=C4O)OCC.[Br-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)C3=[N+](C=C2)C=C4C(=C3)C=CC(=C4O)OCC.[Br-]

InChI

InChI=1S/C21H19NO3.BrH/c1-3-24-16-6-7-17-15(11-16)9-10-22-13-18-14(12-19(17)22)5-8-20(21(18)23)25-4-2;/h5-13H,3-4H2,1-2H3;1H