1-(4-fluoranyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(4-fluoro-3-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(4-fluoro-3-nitrophenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(4-fluoro-3-nitrophenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(4-fluoro-3-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium Formula: C11H15FN3O4S+ MolecularWeight: 304.317903

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C11H14FN3O4S/c12-10-3-2-9(8-11(10)15(16)17)20(18,19)14-6-1-4-13-5-7-14/h2-3,8,13H,1,4-7H2/p+1