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

Systemtic Name: 1-[(4,5-dimethoxy-3-methyl-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-[(4,5-dimethoxy-3-methyl-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[(4,5-dimethoxy-3-methyl-2-nitrophenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[(4,5-dimethoxy-3-methyl-2-nitrophenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-(4,5-dimethoxy-3-methyl-2-nitro-benzyl)-6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Formula: C23H29N2O7+ MolecularWeight: 445.48556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1OC)OC)CC2=[N+](CCC3=CC(=C(C(=C32)OC)OC)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1OC)OC)CC2=[N+](CCC3=CC(=C(C(=C32)OC)OC)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N2O7/c1-13-20(25(26)27)15(12-17(28-3)21(13)30-5)10-16-19-14(8-9-24(16)2)11-18(29-4)22(31-6)23(19)32-7/h11-12H,8-10H2,1-7H3/q+1