2,3,10-trimethoxy-12-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide

Systemtic Name: 2,3,10-trimethoxy-12-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Openeye Name: 2,3,10-trimethoxy-12-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide CAS Name: 2,3,10-trimethoxy-12-methyl-9-isoquinolino[2,1-b]isoquinolin-7-iumol bromide IUPAC Name: 2,3,10-trimethoxy-12-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Traditional Name: 2,3,10-trimethoxy-12-methyl-isoquinolin[2,1-b]isoquinolin-7-ium-9-ol bromide Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C[N+]3=C(C=C12)C4=CC(=C(C=C4C=C3)OC)OC)O)OC.[Br-]

Isomeric SMILES

CC1=CC(=C(C2=C[N+]3=C(C=C12)C4=CC(=C(C=C4C=C3)OC)OC)O)OC.[Br-]

InChI

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