1-(5-bromanyl-2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(5-bromanyl-2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-4-ium Openeye Name: 1-(5-bromo-2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepan-4-ium CAS Name: 1-(5-bromo-2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-4-ium IUPAC Name: 1-(5-bromo-2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-4-ium Traditional Name: 1-(5-bromo-2-fluoro-4-mesyl-phenyl)-1,4-diazepan-4-ium Formula: C12H17BrFN2O2S+ MolecularWeight: 352.242983

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)F)N2CCC[NH2+]CC2)Br

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)F)N2CCC[NH2+]CC2)Br

InChI

InChI=1S/C12H16BrFN2O2S/c1-19(17,18)12-8-10(14)11(7-9(12)13)16-5-2-3-15-4-6-16/h7-8,15H,2-6H2,1H3/p+1