2-fluoranyl-5-(2-pyridin-1-ium-3-ylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: 2-fluoranyl-5-(2-pyridin-1-ium-3-ylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 2-fluoro-5-[(2-pyridin-1-ium-3-yl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-fluoro-5-[[2-(3-pyridin-1-iumyl)-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 2-fluoro-5-(2-pyridin-1-ium-3-ylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-fluoro-5-(2-pyridin-1-ium-3-ylpiperidino)sulfonyl-benzoate Formula: C17H17FN2O4S MolecularWeight: 364.391283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=C[NH+]=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

C1CCN(C(C1)C2=C[NH+]=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C17H17FN2O4S/c18-15-7-6-13(10-14(15)17(21)22)25(23,24)20-9-2-1-5-16(20)12-4-3-8-19-11-12/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,21,22)