N-(3-fluorophenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[3-(methylthio)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[3-(methylthio)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C16H23FN3O2S+ MolecularWeight: 340.436123

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CSCCC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C16H22FN3O2S/c1-23-10-5-16(22)20-8-6-19(7-9-20)12-15(21)18-14-4-2-3-13(17)11-14/h2-4,11H,5-10,12H2,1H3,(H,18,21)/p+1