N-(5-chloranyl-2-cyano-phenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide Formula: C16H16ClN4O+ MolecularWeight: 315.77744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H15ClN4O/c1-20(2)14-5-7-21(8-6-14)11-16(22)19-15-9-13(17)4-3-12(15)10-18/h3-9H,11H2,1-2H3/p+1