N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26F3N4O3S+ MolecularWeight: 483.52705

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H25F3N4O3S/c23-22(24,25)16-3-4-18(28-9-11-32-12-10-28)17(14-16)26-20(30)15-27-5-7-29(8-6-27)21(31)19-2-1-13-33-19/h1-4,13-14H,5-12,15H2,(H,26,30)/p+1