1-ethyl-1-[2-[(3-fluoranyl-2-methylsulfonyl-phenyl)amino]ethanoyl]piperidin-1-ium-4-carboxylic acid

Systemtic Name: 1-ethyl-1-[2-[(3-fluoranyl-2-methylsulfonyl-phenyl)amino]ethanoyl]piperidin-1-ium-4-carboxylic acid Openeye Name: 1-ethyl-1-[2-(3-fluoro-2-methylsulfonyl-anilino)acetyl]piperidin-1-ium-4-carboxylic acid CAS Name: 1-ethyl-1-[2-(3-fluoro-2-methylsulfonylanilino)-1-oxoethyl]-4-piperidin-1-iumcarboxylic acid IUPAC Name: 1-ethyl-1-[2-(3-fluoro-2-methylsulfonylanilino)acetyl]piperidin-1-ium-4-carboxylic acid Traditional Name: 1-ethyl-1-[2-(3-fluoro-2-mesyl-anilino)acetyl]piperidin-1-ium-4-carboxylic acid Formula: C17H24FN2O5S+ MolecularWeight: 387.446263

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)C(=O)O)C(=O)CNC2=C(C(=CC=C2)F)S(=O)(=O)C

Isomeric SMILES

CC[N+]1(CCC(CC1)C(=O)O)C(=O)CNC2=C(C(=CC=C2)F)S(=O)(=O)C

InChI

InChI=1S/C17H23FN2O5S/c1-3-20(9-7-12(8-10-20)17(22)23)15(21)11-19-14-6-4-5-13(18)16(14)26(2,24)25/h4-6,12,19H,3,7-11H2,1-2H3/p+1