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

Systemtic Name: 6,7-dimethoxy-1-[(4-methoxy-2-nitro-5-phenylmethoxy-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-[(5-benzyloxy-4-methoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 6,7-dimethoxy-1-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 6,7-dimethoxy-1-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 1-(5-benzoxy-4-methoxy-2-nitro-benzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C27H29IN2O6 MolecularWeight: 604.43343

Click to see the large picture

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.[I-]

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.[I-]

InChI

InChI=1S/C27H29N2O6.HI/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;1H/q+1;/p-1