N-(4-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-(2-thienylmethylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-(2-thenylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C19H23FN3O2S2+ MolecularWeight: 408.533223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CSCC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CSCC3=CC=CS3

InChI

InChI=1S/C19H22FN3O2S2/c20-15-3-5-16(6-4-15)21-18(24)12-22-7-9-23(10-8-22)19(25)14-26-13-17-2-1-11-27-17/h1-6,11H,7-10,12-14H2,(H,21,24)/p+1