5-(6,7-dimethoxy-2-methyl-4-oxidanylidene-2,3-dihydro-1H-isoquinolin-2-ium-1-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile chloride

Systemtic Name: 5-(6,7-dimethoxy-2-methyl-4-oxidanylidene-2,3-dihydro-1H-isoquinolin-2-ium-1-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile chloride Openeye Name: 5-(6,7-dimethoxy-2-methyl-4-oxo-2,3-dihydro-1H-isoquinolin-2-ium-1-yl)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile chloride CAS Name: 5-(6,7-dimethoxy-2-methyl-4-oxo-2,3-dihydro-1H-isoquinolin-2-ium-1-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile chloride IUPAC Name: 5-(6,7-dimethoxy-2-methyl-4-oxo-2,3-dihydro-1H-isoquinolin-2-ium-1-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile chloride Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(4-keto-6,7-dimethoxy-2-methyl-2,3-dihydro-1H-isoquinolin-2-ium-1-yl)valeronitrile chloride Formula: C28H37ClN2O5 MolecularWeight: 517.05678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC1C2=CC(=C(C=C2C(=O)C[NH+]1C)OC)OC)(C#N)C3=CC(=C(C=C3)OC)OC.[Cl-]

Isomeric SMILES

CC(C)C(CCCC1C2=CC(=C(C=C2C(=O)C[NH+]1C)OC)OC)(C#N)C3=CC(=C(C=C3)OC)OC.[Cl-]

InChI

InChI=1S/C28H36N2O5.ClH/c1-18(2)28(17-29,19-10-11-24(32-4)25(13-19)33-5)12-8-9-22-20-14-26(34-6)27(35-7)15-21(20)23(31)16-30(22)3;/h10-11,13-15,18,22H,8-9,12,16H2,1-7H3;1H