N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-2-(4-pyridylthio)acetamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C20H24FN3OS/c1-23(20(25)15-26-18-8-10-22-11-9-18)17-6-4-12-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7-11,17H,4,6,12-15H2,1H3/p+1/t17-/m0/s1