2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(2-cyano-3-fluorophenyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(2-cyano-3-fluorophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C18H20FN4OS+ MolecularWeight: 359.441003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CS2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CS2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C18H19FN4OS/c19-16-4-1-5-17(15(16)11-20)23-8-6-22(7-9-23)13-18(24)21-12-14-3-2-10-25-14/h1-5,10H,6-9,12-13H2,(H,21,24)/p+1