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

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-fluoro-3-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-fluoro-3-nitrophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-fluoro-3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-fluoro-3-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C17H19FN3O4S+ MolecularWeight: 380.413863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18FN3O4S/c18-16-7-6-15(12-17(16)21(22)23)26(24,25)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1