3,10-dimethoxy-8,13-dimethyl-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide

Systemtic Name: 3,10-dimethoxy-8,13-dimethyl-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide Openeye Name: 3,10-dimethoxy-8,13-dimethyl-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide CAS Name: 3,10-dimethoxy-8,13-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide IUPAC Name: 3,10-dimethoxy-8,13-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide Traditional Name: 3,10-dimethoxy-8,13-dimethyl-isoquinolin[2,1-b]isoquinolin-7-ium-2,9-diol bromide Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC(=C(C=C3C=C[N+]2=C(C4=C1C=CC(=C4O)OC)C)OC)O.[Br-]

Isomeric SMILES

CC1=C2C3=CC(=C(C=C3C=C[N+]2=C(C4=C1C=CC(=C4O)OC)C)OC)O.[Br-]

InChI

InChI=1S/C21H19NO4.BrH/c1-11-14-5-6-17(25-3)21(24)19(14)12(2)22-8-7-13-9-18(26-4)16(23)10-15(13)20(11)22;/h5-10,23H,1-4H3;1H