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

Systemtic Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-phenylsulfanyl-ethanamide Openeye Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-phenylsulfanyl-acetamide CAS Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-2-(phenylthio)acetamide IUPAC Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-phenylsulfanylacetamide Traditional Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-(phenylthio)acetamide Formula: C23H30FN2OS+ MolecularWeight: 401.560503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2OS/c1-25(23(27)18-28-22-5-3-2-4-6-22)17-20-12-15-26(16-13-20)14-11-19-7-9-21(24)10-8-19/h2-10,20H,11-18H2,1H3/p+1