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

Systemtic Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-thienylmethylcarbamoyl)acetamide CAS Name: 2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-N-[oxo-(thiophen-2-ylmethylamino)methyl]acetamide IUPAC Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-thenylcarbamoyl)acetamide Formula: C18H22N5O4S+ MolecularWeight: 404.46338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CS2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CS2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c24-17(20-18(25)19-12-14-4-3-11-28-14)13-21-7-9-22(10-8-21)15-5-1-2-6-16(15)23(26)27/h1-6,11H,7-10,12-13H2,(H2,19,20,24,25)/p+1