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

Systemtic Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-phenylsulfanyl-ethanamide Openeye Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-phenylsulfanyl-acetamide CAS Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-2-(phenylthio)acetamide IUPAC Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-phenylsulfanylacetamide Traditional Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-(phenylthio)acetamide Formula: C23H30FN2OS+ MolecularWeight: 401.560503

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=C(C=C2)F)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)F)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H29FN2OS/c1-25(23(27)18-28-22-7-3-2-4-8-22)16-20-6-5-14-26(17-20)15-13-19-9-11-21(24)12-10-19/h2-4,7-12,20H,5-6,13-18H2,1H3/p+1/t20-/m1/s1