1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C14H12Cl2FN3O2 MolecularWeight: 344.168383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)N.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)N.[Cl-]

InChI

InChI=1S/C14H11ClFN3O2.ClH/c15-11-6-10(3-4-12(11)16)18-13(20)8-19-5-1-2-9(7-19)14(17)21;/h1-7H,8H2,(H2-,17,18,20,21);1H