1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium iodide IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium iodide Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide Formula: C21H23IN2O6 MolecularWeight: 526.32159

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC.[I-]

InChI

InChI=1S/C21H23N2O6.HI/c1-22-7-6-13-9-18(26-2)20(28-4)11-15(13)17(22)8-14-10-19(27-3)21(29-5)12-16(14)23(24)25;/h6-7,9-12H,8H2,1-5H3;1H/q+1;/p-1