5-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile iodide

Systemtic Name: 5-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile iodide Openeye Name: 5-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-3-yl)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile iodide CAS Name: 5-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile iodide IUPAC Name: 5-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile iodide Traditional Name: 5-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-3-yl)-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile iodide Formula: C28H37IN2O4 MolecularWeight: 592.50885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC1CC2=CC(=C(C=C2C=[N+]1C)OC)OC)(C#N)C3=CC(=C(C=C3)OC)OC.[I-]

Isomeric SMILES

CC(C)C(CCCC1CC2=CC(=C(C=C2C=[N+]1C)OC)OC)(C#N)C3=CC(=C(C=C3)OC)OC.[I-]

InChI

InChI=1S/C28H37N2O4.HI/c1-19(2)28(18-29,22-10-11-24(31-4)27(16-22)34-7)12-8-9-23-13-20-14-25(32-5)26(33-6)15-21(20)17-30(23)3;/h10-11,14-17,19,23H,8-9,12-13H2,1-7H3;1H/q+1;/p-1