6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium Formula: C20H19N2O6+ MolecularWeight: 383.37466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](C=CC2=C1)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

Isomeric SMILES

COC1=C(C=C2C=[N+](C=CC2=C1)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

InChI

InChI=1S/C20H19N2O6/c1-25-18-7-13-3-4-21(9-14(13)8-19(18)26-2)10-15-5-17(22(23)24)6-16-11-27-12-28-20(15)16/h3-9H,10-12H2,1-2H3/q+1