1-(4-fluoranyl-3-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(4-fluoro-3-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(4-fluoro-3-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(4-fluoro-3-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-(4-fluoro-3-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium Formula: C13H19FN3O4S+ MolecularWeight: 332.371063

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H18FN3O4S/c1-2-5-15-6-8-16(9-7-15)22(20,21)11-3-4-12(14)13(10-11)17(18)19/h3-4,10H,2,5-9H2,1H3/p+1