2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide chloride

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide chloride Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide chloride CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-(2-methyl-4-nitrophenyl)acetamide chloride IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide chloride Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide chloride Formula: C16H19ClN4O3 MolecularWeight: 350.80006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3.ClH/c1-12-10-14(20(22)23)4-5-15(12)17-16(21)11-19-8-6-13(7-9-19)18(2)3;/h4-10H,11H2,1-3H3;1H