N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-2-(2-pyrimidylthio)acetamide Formula: C19H24FN4OS+ MolecularWeight: 375.483463

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H23FN4OS/c1-23(18(25)14-26-19-21-9-5-10-22-19)16-7-4-11-24(13-16)12-15-6-2-3-8-17(15)20/h2-3,5-6,8-10,16H,4,7,11-14H2,1H3/p+1/t16-/m0/s1