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

Systemtic Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-(4-pyridylthio)acetamide Formula: C22H29FN3OS+ MolecularWeight: 402.548563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2F)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2F)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C22H28FN3OS/c1-25(22(27)17-28-20-8-11-24-12-9-20)15-18-5-4-13-26(16-18)14-10-19-6-2-3-7-21(19)23/h2-3,6-9,11-12,18H,4-5,10,13-17H2,1H3/p+1/t18-/m1/s1