N-(4-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[4-(trifluoromethylsulfanyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[oxo-[4-(trifluoromethylthio)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[4-(trifluoromethylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H23F3N3O2S+ MolecularWeight: 438.48643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C21H22F3N3O2S/c1-15-2-6-17(7-3-15)25-19(28)14-26-10-12-27(13-11-26)20(29)16-4-8-18(9-5-16)30-21(22,23)24/h2-9H,10-14H2,1H3,(H,25,28)/p+1