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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 7-benzyloxy-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 7-benzoxy-1-(2-bromo-4,5-dimethoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C27H29BrINO4 MolecularWeight: 638.33193

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CC4=CC(=C(C=C4Br)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CC4=CC(=C(C=C4Br)OC)OC.[I-]

InChI

InChI=1S/C27H29BrNO4.HI/c1-29-11-10-19-13-25(31-3)27(33-17-18-8-6-5-7-9-18)15-21(19)23(29)12-20-14-24(30-2)26(32-4)16-22(20)28;/h5-9,13-16H,10-12,17H2,1-4H3;1H/q+1;/p-1