1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-nitrophenyl)methyl]isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-(4-nitrobenzyl)-1-veratryl-isoquinolin-2-ium Formula: C27H27N2O6+ MolecularWeight: 475.51308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H27N2O6/c1-32-24-10-7-19(14-25(24)33-2)13-23-22-16-27(35-4)26(34-3)15-20(22)11-12-28(23)17-18-5-8-21(9-6-18)29(30)31/h5-12,14-16H,13,17H2,1-4H3/q+1