N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride

Systemtic Name: N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride Openeye Name: N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride CAS Name: N-(2,5-dimethylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide chloride IUPAC Name: N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-ylacetamide chloride Traditional Name: N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride Formula: C19H19ClN2O MolecularWeight: 326.81996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C19H18N2O.ClH/c1-14-7-8-15(2)18(11-14)20-19(22)13-21-10-9-16-5-3-4-6-17(16)12-21;/h3-12H,13H2,1-2H3;1H