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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyloxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H25F3N3O3+ MolecularWeight: 436.44741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H24F3N3O3/c1-2-16-5-3-4-6-19(16)26-20(29)15-27-11-13-28(14-12-27)21(30)17-7-9-18(10-8-17)31-22(23,24)25/h3-10H,2,11-15H2,1H3,(H,26,29)/p+1