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

Systemtic Name: 2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-(4-p-toluoylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C21H23F3N3O3+ MolecularWeight: 422.42083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H22F3N3O3/c1-15-2-4-16(5-3-15)20(29)27-12-10-26(11-13-27)14-19(28)25-17-6-8-18(9-7-17)30-21(22,23)24/h2-9H,10-14H2,1H3,(H,25,28)/p+1