2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethylthio]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylthio]-4-(trifluoromethyl)pyrimidine Formula: C13H19F3N3S+ MolecularWeight: 306.37027

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCSC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCSC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C13H18F3N3S/c1-19-8-3-2-4-10(19)6-9-20-12-17-7-5-11(18-12)13(14,15)16/h5,7,10H,2-4,6,8-9H2,1H3/p+1/t10-/m0/s1