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

Systemtic Name: 2,10-dimethoxy-13-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide Openeye Name: 2,10-dimethoxy-13-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide CAS Name: 2,10-dimethoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide IUPAC Name: 2,10-dimethoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-3,9-diol bromide Traditional Name: 2,10-dimethoxy-13-methyl-isoquinolin[2,1-b]isoquinolin-7-ium-3,9-diol bromide Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4C=C3)O)OC)O)OC.[Br-]

Isomeric SMILES

CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4C=C3)O)OC)O)OC.[Br-]

InChI

InChI=1S/C20H17NO4.BrH/c1-11-13-4-5-17(24-2)20(23)15(13)10-21-7-6-12-8-16(22)18(25-3)9-14(12)19(11)21;/h4-10H,1-3H3,(H,22,23);1H