1-[6-(4-bromanyl-2-fluoranyl-phenoxy)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-(4-bromanyl-2-fluoranyl-phenoxy)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(4-bromo-2-fluoro-phenoxy)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(4-bromo-2-fluorophenoxy)pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-(4-bromo-2-fluoro-phenoxy)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C16H18BrFN3O3S+ MolecularWeight: 431.299823

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)OC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)OC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H17BrFN3O3S/c1-20-6-8-21(9-7-20)25(22,23)13-3-5-16(19-11-13)24-15-4-2-12(17)10-14(15)18/h2-5,10-11H,6-9H2,1H3/p+1