2-[4-(5-acetamidothiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(5-acetamidothiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(5-acetamido-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C20H22F3N4O4S+ MolecularWeight: 471.47329

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H21F3N4O4S/c1-13(28)24-18-7-6-16(32-18)19(30)27-10-8-26(9-11-27)12-17(29)25-14-2-4-15(5-3-14)31-20(21,22)23/h2-7H,8-12H2,1H3,(H,24,28)(H,25,29)/p+1