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

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[1-oxo-3-(phenylthio)propyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[3-(phenylthio)propanoyl]piperazin-1-ium-1-yl]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)CCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CCSC3=CC=CC=C3

InChI

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