2-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C19H21F3N3O2S+ MolecularWeight: 412.44915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2S/c1-13-6-11-28-17(13)18(27)25-9-7-24(8-10-25)12-16(26)23-15-5-3-2-4-14(15)19(20,21)22/h2-6,11H,7-10,12H2,1H3,(H,23,26)/p+1