N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(4-imidazol-1-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(4-imidazol-1-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(imidazole-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[1-imidazolyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(imidazole-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(imidazole-1-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H18ClF3N5O2+ MolecularWeight: 416.80533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)N3C=CN=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)N3C=CN=C3

InChI

InChI=1S/C17H17ClF3N5O2/c18-14-2-1-12(9-13(14)17(19,20)21)23-15(27)10-24-5-7-25(8-6-24)16(28)26-4-3-22-11-26/h1-4,9,11H,5-8,10H2,(H,23,27)/p+1