2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-N-(3,5-dimethoxyphenyl)ethanamide chloride

Systemtic Name: 2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-N-(3,5-dimethoxyphenyl)ethanamide chloride Openeye Name: 2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-N-(3,5-dimethoxyphenyl)acetamide chloride CAS Name: 2-(6,7-dimethoxy-2-isoquinolin-2-iumyl)-N-(3,5-dimethoxyphenyl)acetamide chloride IUPAC Name: 2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-N-(3,5-dimethoxyphenyl)acetamide chloride Traditional Name: 2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)-N-(3,5-dimethoxyphenyl)acetamide chloride Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C[N+]2=CC3=CC(=C(C=C3C=C2)OC)OC)OC.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C[N+]2=CC3=CC(=C(C=C3C=C2)OC)OC)OC.[Cl-]

InChI

InChI=1S/C21H22N2O5.ClH/c1-25-17-9-16(10-18(11-17)26-2)22-21(24)13-23-6-5-14-7-19(27-3)20(28-4)8-15(14)12-23;/h5-12H,13H2,1-4H3;1H