2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-thienylmethylcarbamoyl)acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[oxo-(thiophen-2-ylmethylamino)methyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-thenylcarbamoyl)acetamide Formula: C18H22FN4O2S+ MolecularWeight: 377.456283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O2S/c19-14-3-5-15(6-4-14)23-9-7-22(8-10-23)13-17(24)21-18(25)20-12-16-2-1-11-26-16/h1-6,11H,7-10,12-13H2,(H2,20,21,24,25)/p+1