N-[3,5-bis(fluoranyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,5-difluorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-difluorophenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-difluorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-difluorophenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H18F2N3O2S+ MolecularWeight: 366.405526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F2N3O2S/c18-12-8-13(19)10-14(9-12)20-16(23)11-21-3-5-22(6-4-21)17(24)15-2-1-7-25-15/h1-2,7-10H,3-6,11H2,(H,20,23)/p+1