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

Systemtic Name: N-(2-phenylsulfanylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-phenylsulfanylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(phenylthio)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-phenylsulfanylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(phenylthio)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C25H25F3N3OS+ MolecularWeight: 472.54571

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H24F3N3OS/c26-25(27,28)19-7-6-8-20(17-19)31-15-13-30(14-16-31)18-24(32)29-22-11-4-5-12-23(22)33-21-9-2-1-3-10-21/h1-12,17H,13-16,18H2,(H,29,32)/p+1