3-chloranyl-4-fluoranyl-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 3-chloro-4-fluoro-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-chloro-4-fluoro-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C17H21ClFN2O3S+ MolecularWeight: 387.876643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClFN2O3S/c18-16-10-15(3-4-17(16)19)25(22,23)20-11-13-5-7-21(8-6-13)12-14-2-1-9-24-14/h1-4,9-10,13,20H,5-8,11-12H2/p+1