6-methoxy-2-methyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-2-ium-7-ol iodide

Systemtic Name: 6-methoxy-2-methyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-2-ium-7-ol iodide Openeye Name: 6-methoxy-2-methyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-2-ium-7-ol iodide CAS Name: 6-methoxy-2-methyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-2-ium-7-ol iodide IUPAC Name: 6-methoxy-2-methyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-2-ium-7-ol iodide Traditional Name: 6-methoxy-2-methyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-2-ium-7-ol iodide Formula: C22H28INO5 MolecularWeight: 513.36589

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)O)CCC3=CC(=C(C(=C3)OC)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)O)CCC3=CC(=C(C(=C3)OC)OC)OC.[I-]

InChI

InChI=1S/C22H27NO5.HI/c1-23-9-8-15-12-19(25-2)18(24)13-16(15)17(23)7-6-14-10-20(26-3)22(28-5)21(11-14)27-4;/h10-13H,6-9H2,1-5H3;1H