N-(3-cyanothiophen-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C18H18F3N4OS+ MolecularWeight: 395.42193

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4OS/c19-18(20,21)14-2-1-3-15(10-14)25-7-5-24(6-8-25)12-16(26)23-17-13(11-22)4-9-27-17/h1-4,9-10H,5-8,12H2,(H,23,26)/p+1