1-(2-fluorophenyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(2-fluorophenyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium chloride Openeye Name: 1-(2-fluorophenyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium chloride CAS Name: 1-(2-fluorophenyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium chloride IUPAC Name: 1-(2-fluorophenyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-(2-fluorophenyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium chloride Formula: C16H17ClFN3O4S MolecularWeight: 401.840283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-].[Cl-]

InChI

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