3-chloranyl-4-fluoranyl-N-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]benzenesulfonamide CAS Name: 3-chloro-4-fluoro-N-[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: 3-chloro-4-fluoro-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-ium-4-yl]benzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-[1-(2-keto-2-pyrrolidino-ethyl)piperidin-1-ium-4-yl]benzenesulfonamide Formula: C17H24ClFN3O3S+ MolecularWeight: 404.907163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H23ClFN3O3S/c18-15-11-14(3-4-16(15)19)26(24,25)20-13-5-9-21(10-6-13)12-17(23)22-7-1-2-8-22/h3-4,11,13,20H,1-2,5-10,12H2/p+1