4-fluoranyl-N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-fluoranyl-N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-fluoro-N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-fluoro-N-[[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-fluoro-N-[[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]benzamide Formula: C19H24FN4OS+ MolecularWeight: 375.483463

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN4OS/c1-26-19-22-10-15(11-23-19)13-24-8-2-3-14(12-24)9-21-18(25)16-4-6-17(20)7-5-16/h4-7,10-11,14H,2-3,8-9,12-13H2,1H3,(H,21,25)/p+1/t14-/m1/s1