2-isoquinolin-2-ium-2-yl-N-(2,4,6-trimethylphenyl)ethanamide chloride

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(2,4,6-trimethylphenyl)ethanamide chloride Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(2,4,6-trimethylphenyl)acetamide chloride CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(2,4,6-trimethylphenyl)acetamide chloride IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(2,4,6-trimethylphenyl)acetamide chloride Traditional Name: 2-isoquinolin-2-ium-2-yl-N-mesityl-acetamide chloride Formula: C20H21ClN2O MolecularWeight: 340.84654

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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)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O.ClH/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-22-9-8-17-6-4-5-7-18(17)12-22;/h4-12H,13H2,1-3H3;1H