2,5-bis(fluoranyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 2,5-bis(fluoranyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 2,5-difluoro-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 2,5-difluoro-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 2,5-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 2,5-difluoro-N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C17H21F2N2O3S+ MolecularWeight: 371.422046

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNS(=O)(=O)C2=C(C=CC(=C2)F)F)CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCC1CNS(=O)(=O)C2=C(C=CC(=C2)F)F)CC3=CC=CO3

InChI

InChI=1S/C17H20F2N2O3S/c18-14-3-4-16(19)17(10-14)25(22,23)20-11-13-5-7-21(8-6-13)12-15-2-1-9-24-15/h1-4,9-10,13,20H,5-8,11-12H2/p+1