2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(4,5-dimethoxy-2-nitro-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H25N2O6+ MolecularWeight: 389.4223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C20H24N2O6/c1-25-17-7-13-5-6-21(11-14(13)8-18(17)26-2)12-15-9-19(27-3)20(28-4)10-16(15)22(23)24/h7-10H,5-6,11-12H2,1-4H3/p+1