2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-13-olate

Systemtic Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-13-olate Openeye Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-13-olate CAS Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-13-olate IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-13-olate Traditional Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-13-olate Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C[N+]3=C(C4=CC(=C(C=C4CC3)OC)OC)C(=C2C=C1)[O-])OC

Isomeric SMILES

COC1=C(C2=C[N+]3=C(C4=CC(=C(C=C4CC3)OC)OC)C(=C2C=C1)[O-])OC

InChI

InChI=1S/C21H21NO5/c1-24-16-6-5-13-15(21(16)27-4)11-22-8-7-12-9-17(25-2)18(26-3)10-14(12)19(22)20(13)23/h5-6,9-11H,7-8H2,1-4H3