2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O2S/c22-19-9-5-4-8-18(19)21(27)25-13-11-24(12-14-25)16-20(26)23-10-15-28-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,26)/p+1