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

Systemtic Name: methyl 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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-iumcarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C15H19ClFN2O3+ MolecularWeight: 329.774363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H18ClFN2O3/c1-22-15(21)10-4-6-19(7-5-10)9-14(20)18-11-2-3-13(17)12(16)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,18,20)/p+1