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

Systemtic Name: N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N-methyl-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazino]pyridin-1-ium-3-sulfonamide Formula: C17H20F3N4O2S+ MolecularWeight: 401.42651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N4O2S/c1-21-27(25,26)16-12-22-6-5-15(16)24-9-7-23(8-10-24)14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12,21H,7-10H2,1H3/p+1