N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propanamide chloride

Systemtic Name: N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propanamide chloride Openeye Name: N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propanamide chloride CAS Name: N-(4-cyanophenyl)-2-(6,7-dimethoxy-2-isoquinolin-2-iumyl)propanamide chloride IUPAC Name: N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propanamide chloride Traditional Name: N-(4-cyanophenyl)-2-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propionamide chloride Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[N+]2=CC3=CC(=C(C=C3C=C2)OC)OC.[Cl-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)[N+]2=CC3=CC(=C(C=C3C=C2)OC)OC.[Cl-]

InChI

InChI=1S/C21H19N3O3.ClH/c1-14(21(25)23-18-6-4-15(12-22)5-7-18)24-9-8-16-10-19(26-2)20(27-3)11-17(16)13-24;/h4-11,13-14H,1-3H3;1H