N-(4-methylphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)ethanamide chloride

Systemtic Name: N-(4-methylphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)ethanamide chloride Openeye Name: N-(p-tolyl)-2-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)acetamide chloride CAS Name: N-(4-methylphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)acetamide chloride IUPAC Name: N-(4-methylphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)acetamide chloride Traditional Name: N-(p-tolyl)-2-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)acetamide chloride Formula: C21H25ClN2O MolecularWeight: 356.889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=[N+](C(CC3=CC=CC=C32)(C)C)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=[N+](C(CC3=CC=CC=C32)(C)C)C.[Cl-]

InChI

InChI=1S/C21H24N2O.ClH/c1-15-9-11-17(12-10-15)22-20(24)13-19-18-8-6-5-7-16(18)14-21(2,3)23(19)4;/h5-12H,13-14H2,1-4H3;1H