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

Systemtic Name: N-(2-thiophen-2-ylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-thienyl)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-thiophen-2-ylethyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-thiophen-2-ylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(2-thienyl)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C19H23F3N3OS+ MolecularWeight: 398.46563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CS2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CS2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H22F3N3OS/c20-19(21,22)15-3-1-4-16(13-15)25-10-8-24(9-11-25)14-18(26)23-7-6-17-5-2-12-27-17/h1-5,12-13H,6-11,14H2,(H,23,26)/p+1