4-chloranyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-chloro-N-(2-furylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-(2-furanylmethyl)-N-(1-methyl-4-piperidin-1-iumyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-furfuryl)-N-(1-methylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)benzenesulfonamide Formula: C18H21ClF3N2O3S+ MolecularWeight: 437.88415

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(CC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C[NH+]1CCC(CC1)N(CC2=CC=CO2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H20ClF3N2O3S/c1-23-8-6-13(7-9-23)24(12-14-3-2-10-27-14)28(25,26)15-4-5-17(19)16(11-15)18(20,21)22/h2-5,10-11,13H,6-9,12H2,1H3/p+1