2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-[4-(2-thenoyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)acetamide Formula: C17H17F3N3O2S+ MolecularWeight: 384.39599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C(=C(C=C2)F)F)F)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C(=C(C=C2)F)F)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H16F3N3O2S/c18-11-3-4-12(16(20)15(11)19)21-14(24)10-22-5-7-23(8-6-22)17(25)13-2-1-9-26-13/h1-4,9H,5-8,10H2,(H,21,24)/p+1