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

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]ethanamide Openeye Name: 2-pyrimidin-2-ylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]acetamide CAS Name: 2-(2-pyrimidinylthio)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]acetamide IUPAC Name: 2-pyrimidin-2-ylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]acetamide Traditional Name: 2-(2-pyrimidylthio)-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]acetamide Formula: C17H19F3N5OS+ MolecularWeight: 398.42587

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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=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3N5OS/c18-17(19,20)12-4-5-14(23-9-12)25-8-1-3-13(10-25)24-15(26)11-27-16-21-6-2-7-22-16/h2,4-7,9,13H,1,3,8,10-11H2,(H,24,26)/p+1/t13-/m0/s1