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

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Formula: C22H27N2O7+ MolecularWeight: 431.45898

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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

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

InChI

InChI=1S/C22H27N2O7/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/q+1