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

Systemtic Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-thienylmethylcarbamoyl)acetamide CAS Name: 2-[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-[oxo-(thiophen-2-ylmethylamino)methyl]acetamide IUPAC Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]-N-(2-thenylcarbamoyl)acetamide Formula: C19H24FN4O2S+ MolecularWeight: 391.482863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CS2)CC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CS2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H23FN4O2S/c20-17-6-2-1-4-15(17)13-23-7-9-24(10-8-23)14-18(25)22-19(26)21-12-16-5-3-11-27-16/h1-6,11H,7-10,12-14H2,(H2,21,22,25,26)/p+1