1-[6-[2-(4-fluoranylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[2-(4-fluoranylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[2-(4-fluorophenoxy)ethylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[2-(4-fluorophenoxy)ethylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[2-(4-fluorophenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[2-(4-fluorophenoxy)ethylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C18H23FN3O3S2+ MolecularWeight: 412.521923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O3S2/c1-21-8-10-22(11-9-21)27(23,24)17-6-7-18(20-14-17)26-13-12-25-16-4-2-15(19)3-5-16/h2-7,14H,8-13H2,1H3/p+1