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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[2-(benzylthio)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CSCC3=CC=CC=C3

InChI

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