1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium chloride Openeye Name: 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium chloride CAS Name: 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium chloride IUPAC Name: 1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-(4-fluorophenyl)-4-nosyl-piperazin-1-ium chloride Formula: C16H17ClFN3O4S MolecularWeight: 401.840283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H16FN3O4S.ClH/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)25(23,24)16-7-5-15(6-8-16)20(21)22;/h1-8H,9-12H2;1H