1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C22H27IN2O7 MolecularWeight: 558.36345

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C(=C(C=C2CC1)OC)OC)OC)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=C(C(=C(C=C2CC1)OC)OC)OC)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC.[I-]

InChI

InChI=1S/C22H27N2O7.HI/c1-23-8-7-13-10-19(29-4)21(30-5)22(31-6)20(13)16(23)9-14-11-17(27-2)18(28-3)12-15(14)24(25)26;/h10-12H,7-9H2,1-6H3;1H/q+1;/p-1