N-cyclopropyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[[3-(trifluoromethyl)phenyl]thio]nicotinoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H24F3N4O2S+ MolecularWeight: 465.51177

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H23F3N4O2S/c23-22(24,25)15-3-1-4-17(13-15)32-20-18(5-2-8-26-20)21(31)29-11-9-28(10-12-29)14-19(30)27-16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)/p+1