ethyl (3S)-1-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-fluoroanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(4-fluoroanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-fluoroanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(4-fluoroanilino)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H24FN2O3+ MolecularWeight: 323.382463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H23FN2O3/c1-2-23-17(22)13-4-3-10-20(12-13)11-9-16(21)19-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,19,21)/p+1/t13-/m0/s1