2-isoquinolin-2-ium-2-yl-N-(4-methylphenyl)ethanamide chloride

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(4-methylphenyl)ethanamide chloride Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(p-tolyl)acetamide chloride CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(4-methylphenyl)acetamide chloride IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(4-methylphenyl)acetamide chloride Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(p-tolyl)acetamide chloride Formula: C18H17ClN2O MolecularWeight: 312.79338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O.ClH/c1-14-6-8-17(9-7-14)19-18(21)13-20-11-10-15-4-2-3-5-16(15)12-20;/h2-12H,13H2,1H3;1H