ethyl 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-fluoroanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H22FN2O3+ MolecularWeight: 309.355883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN2O3/c1-2-22-16(21)12-7-9-19(10-8-12)11-15(20)18-14-5-3-13(17)4-6-14/h3-6,12H,2,7-11H2,1H3,(H,18,20)/p+1