1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 5,6,7-trimethoxy-2-methyl-1-veratryl-3,4-dihydroisoquinolin-2-ium 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)OC)OC)CC3=CC(=C(C=C3)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C(=C2CC1)OC)OC)OC)CC3=CC(=C(C=C3)OC)OC.[I-]

InChI

InChI=1S/C22H28NO5.HI/c1-23-10-9-15-16(13-20(26-4)22(28-6)21(15)27-5)17(23)11-14-7-8-18(24-2)19(12-14)25-3;/h7-8,12-13H,9-11H2,1-6H3;1H/q+1;/p-1