2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,5-dimethylphenyl)ethanamide chloride

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,5-dimethylphenyl)ethanamide chloride Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,5-dimethylphenyl)acetamide chloride CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-(2,5-dimethylphenyl)acetamide chloride IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,5-dimethylphenyl)acetamide chloride Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,5-dimethylphenyl)acetamide chloride Formula: C17H22ClN3O MolecularWeight: 319.82908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O.ClH/c1-13-5-6-14(2)16(11-13)18-17(21)12-20-9-7-15(8-10-20)19(3)4;/h5-11H,12H2,1-4H3;1H