3-[[5-(2-azaniumylethyl)-2-fluoranyl-phenyl]sulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-(2-azaniumylethyl)-2-fluoranyl-phenyl]sulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-(2-azaniumylethyl)-2-fluoro-phenyl]sulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[[5-(2-ammonioethyl)-2-fluorophenyl]sulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[[5-(2-azaniumylethyl)-2-fluorophenyl]sulfonylamino]propyl-dimethylazanium Traditional Name: 3-[[5-(2-ammonioethyl)-2-fluoro-phenyl]sulfonylamino]propyl-dimethyl-ammonium Formula: C13H24FN3O2S+2 MolecularWeight: 305.411963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=C(C=CC(=C1)CC[NH3+])F

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=C(C=CC(=C1)CC[NH3+])F

InChI

InChI=1S/C13H22FN3O2S/c1-17(2)9-3-8-16-20(18,19)13-10-11(6-7-15)4-5-12(13)14/h4-5,10,16H,3,6-9,15H2,1-2H3/p+2