(3S)-1-[(2-fluorophenyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-[[2-(methylthio)pyrimidin-5-yl]methyl]amine Formula: C18H24FN4S+ MolecularWeight: 347.473363

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CNC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CSC1=NC=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C18H23FN4S/c1-24-18-21-10-14(11-22-18)9-20-16-6-4-8-23(13-16)12-15-5-2-3-7-17(15)19/h2-3,5,7,10-11,16,20H,4,6,8-9,12-13H2,1H3/p+1/t16-/m0/s1