1-[(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1S)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1S)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-carboxamide Formula: C15H14ClFN3O2+ MolecularWeight: 322.741963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C15H13ClFN3O2/c1-9(20-6-2-3-10(8-20)14(18)21)15(22)19-13-5-4-11(17)7-12(13)16/h2-9H,1H3,(H2-,18,19,21,22)/p+1/t9-/m0/s1