2-pyridin-2-ylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]ethanamide

Systemtic Name: 2-pyridin-2-ylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]ethanamide Openeye Name: 2-(2-pyridylsulfanyl)-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]acetamide CAS Name: 2-(2-pyridinylthio)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]acetamide IUPAC Name: 2-pyridin-2-ylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]acetamide Traditional Name: 2-(2-pyridylthio)-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]acetamide Formula: C18H20F3N4OS+ MolecularWeight: 397.43781

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C18H19F3N4OS/c19-18(20,21)13-6-7-15(23-10-13)25-9-3-4-14(11-25)24-16(26)12-27-17-5-1-2-8-22-17/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,24,26)/p+1/t14-/m0/s1