ethyl (3S)-1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23FN3O4+ MolecularWeight: 352.380623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC(=O)NC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C17H22FN3O4/c1-2-25-16(23)12-6-5-9-21(10-12)11-15(22)20-17(24)19-14-8-4-3-7-13(14)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,19,20,22,24)/p+1/t12-/m0/s1