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

Systemtic Name: 7-methoxy-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2-methyl-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 6-benzyloxy-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-7-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 7-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 7-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 6-benzoxy-1-(3-benzoxy-4-methoxy-benzyl)-7-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C33H34INO4 MolecularWeight: 635.53183

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OCC3=CC=CC=C3)OC)CC4=CC(=C(C=C4)OC)OCC5=CC=CC=C5.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OCC3=CC=CC=C3)OC)CC4=CC(=C(C=C4)OC)OCC5=CC=CC=C5.[I-]

InChI

InChI=1S/C33H34NO4.HI/c1-34-17-16-27-20-33(38-23-25-12-8-5-9-13-25)31(36-3)21-28(27)29(34)18-26-14-15-30(35-2)32(19-26)37-22-24-10-6-4-7-11-24;/h4-15,19-21H,16-18,22-23H2,1-3H3;1H/q+1;/p-1