4-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 4-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methyl-pyridin-1-ium-3-sulfonamide Openeye Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methyl-pyridin-1-ium-3-sulfonamide CAS Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazinyl]-N-methyl-3-pyridin-1-iumsulfonamide IUPAC Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridin-1-ium-3-sulfonamide Traditional Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazino]-N-methyl-pyridin-1-ium-3-sulfonamide Formula: C17H19ClF3N4O2S+ MolecularWeight: 435.87157

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=C[NH+]=C1)N2CCN(CC2)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CNS(=O)(=O)C1=C(C=C[NH+]=C1)N2CCN(CC2)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H18ClF3N4O2S/c1-22-28(26,27)16-11-23-5-4-15(16)25-8-6-24(7-9-25)12-2-3-14(18)13(10-12)17(19,20)21/h2-5,10-11,22H,6-9H2,1H3/p+1