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

Systemtic Name: 1-[2-(3,4-dimethoxy-5-phenylmethoxy-phenyl)ethyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 7-benzyloxy-1-[2-(3-benzyloxy-4,5-dimethoxy-phenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[2-(3,4-dimethoxy-5-phenylmethoxyphenyl)ethyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[2-(3,4-dimethoxy-5-phenylmethoxyphenyl)ethyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 7-benzoxy-1-[2-(3-benzoxy-4,5-dimethoxy-phenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C35H38INO5 MolecularWeight: 683.569474

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CCC4=CC(=C(C(=C4)OCC5=CC=CC=C5)OC)OC.[I-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+](=C2[14CH2]CC3=CC(=C(C(=C3)OCC4=CC=CC=C4)OC)OC)[14CH3])OCC5=CC=CC=C5.[I-]

InChI

InChI=1S/C35H38NO5.HI/c1-36-18-17-28-21-31(37-2)32(40-23-25-11-7-5-8-12-25)22-29(28)30(36)16-15-27-19-33(38-3)35(39-4)34(20-27)41-24-26-13-9-6-10-14-26;/h5-14,19-22H,15-18,23-24H2,1-4H3;1H/q+1;/p-1/i1+2,16+2;