2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium chloride hydrate

Systemtic Name: 2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium chloride hydrate Openeye Name: 2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium chloride hydrate CAS Name: 2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium chloride hydrate IUPAC Name: 2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium chloride hydrate Traditional Name: 2,3,10,11-tetramethoxyisoquinolin[2,1-b]isoquinolin-7-ium chloride hydrate Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C=C2C=C1OC.O.[Cl-]

Isomeric SMILES

COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C=C2C=C1OC.O.[Cl-]

InChI

InChI=1S/C21H20NO4.ClH.H2O/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4;;/h5-12H,1-4H3;1H;1H2/q+1;;/p-1