2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-m-toluoylpiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H23F3N3O2+ MolecularWeight: 406.42143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3N3O2/c1-15-5-4-6-16(13-15)20(29)27-11-9-26(10-12-27)14-19(28)25-18-8-3-2-7-17(18)21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,28)/p+1