1-methyl-4-[6-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-[[3-(trifluoromethyl)phenyl]thio]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C17H19F3N3O2S2+ MolecularWeight: 418.47687

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2S2/c1-22-7-9-23(10-8-22)27(24,25)15-5-6-16(21-12-15)26-14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12H,7-10H2,1H3/p+1