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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)F)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)F)C(=O)CSC3=CC=NC=C3

InChI

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