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

Systemtic Name: 4-bromanyl-2-chloranyl-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Openeye Name: 4-bromo-2-chloro-N-(2-furylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide CAS Name: 4-bromo-2-chloro-N-(2-furanylmethyl)-N-(1-methyl-4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 4-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Traditional Name: 4-bromo-2-chloro-N-(2-furfuryl)-N-(1-methylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C17H21BrClN2O3S+ MolecularWeight: 448.78224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrClN2O3S/c1-20-8-6-14(7-9-20)21(12-15-3-2-10-24-15)25(22,23)17-5-4-13(18)11-16(17)19/h2-5,10-11,14H,6-9,12H2,1H3/p+1