4-fluoranyl-N,N-dimethyl-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 4-fluoranyl-N,N-dimethyl-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 4-fluoro-N,N-dimethyl-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 4-fluoro-N,N-dimethyl-3-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-fluoro-N,N-dimethyl-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-fluoro-N,N-dimethyl-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C18H22FN4O3S+ MolecularWeight: 393.455683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C18H21FN4O3S/c1-21(2)27(25,26)15-3-4-17(19)16(13-15)18(24)23-11-9-22(10-12-23)14-5-7-20-8-6-14/h3-8,13H,9-12H2,1-2H3/p+1