2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(2-thienylmethylcarbamoyl)acetamide CAS Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-N-[oxo-(thiophen-2-ylmethylamino)methyl]acetamide IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(2-thenylcarbamoyl)acetamide Formula: C19H21F3N5O4S+ MolecularWeight: 472.46135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N5O4S/c20-19(21,22)13-3-4-15(16(10-13)27(30)31)26-7-5-25(6-8-26)12-17(28)24-18(29)23-11-14-2-1-9-32-14/h1-4,9-10H,5-8,11-12H2,(H2,23,24,28,29)/p+1