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

Systemtic Name: N-(2-phenylsulfanylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-phenylsulfanylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(phenylthio)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-phenylsulfanylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(phenylthio)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25F3N3OS+ MolecularWeight: 424.50291

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3OS/c22-21(23,24)17-5-4-6-18(15-17)27-12-10-26(11-13-27)16-20(28)25-9-14-29-19-7-2-1-3-8-19/h1-8,15H,9-14,16H2,(H,25,28)/p+1