1,3,4-triethoxy-10-methoxy-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide

Systemtic Name: 1,3,4-triethoxy-10-methoxy-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Openeye Name: 1,3,4-triethoxy-10-methoxy-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide CAS Name: 1,3,4-triethoxy-10-methoxy-9-isoquinolino[2,1-b]isoquinolin-7-iumol bromide IUPAC Name: 1,3,4-triethoxy-10-methoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol bromide Traditional Name: 1,3,4-triethoxy-10-methoxy-isoquinolin[2,1-b]isoquinolin-7-ium-9-ol bromide Formula: C24H26BrNO5 MolecularWeight: 488.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C2=C1C3=[N+](C=C2)C=C4C(=C3)C=CC(=C4O)OC)OCC)OCC.[Br-]

Isomeric SMILES

CCOC1=CC(=C(C2=C1C3=[N+](C=C2)C=C4C(=C3)C=CC(=C4O)OC)OCC)OCC.[Br-]

InChI

InChI=1S/C24H25NO5.BrH/c1-5-28-20-13-21(29-6-2)24(30-7-3)16-10-11-25-14-17-15(12-18(25)22(16)20)8-9-19(27-4)23(17)26;/h8-14H,5-7H2,1-4H3;1H