1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C14H16ClFN2O3 MolecularWeight: 314.739843

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H16ClFN2O3/c15-11-7-10(1-2-12(11)16)17-13(19)8-18-5-3-9(4-6-18)14(20)21/h1-2,7,9H,3-6,8H2,(H,17,19)(H,20,21)