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

Systemtic Name: 6,7-dimethoxy-1-[(4-methoxy-2-nitro-5-phenylmethoxy-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-[(5-benzyloxy-4-methoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-1-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-(5-benzoxy-4-methoxy-2-nitro-benzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Formula: C27H29N2O6+ MolecularWeight: 477.52896

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N2O6/c1-28-11-10-19-13-24(32-2)25(33-3)15-21(19)23(28)12-20-14-27(26(34-4)16-22(20)29(30)31)35-17-18-8-6-5-7-9-18/h5-9,13-16H,10-12,17H2,1-4H3/q+1