2-[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C22H24F3N6O2+ MolecularWeight: 461.46017

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(F)(F)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(F)(F)F)N=N1

InChI

InChI=1S/C22H23F3N6O2/c1-2-31-19-8-7-15(13-18(19)27-28-31)21(33)30-11-9-29(10-12-30)14-20(32)26-17-6-4-3-5-16(17)22(23,24)25/h3-8,13H,2,9-12,14H2,1H3,(H,26,32)/p+1