2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2,4,5-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2,4,5-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trifluorophenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2,4,5-trifluorophenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trifluorophenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trifluorophenyl)acetamide Formula: C18H18ClF3N3O+ MolecularWeight: 384.80323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2F)F)F)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2F)F)F)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H17ClF3N3O/c19-12-2-1-3-13(8-12)25-6-4-24(5-7-25)11-18(26)23-17-10-15(21)14(20)9-16(17)22/h1-3,8-10H,4-7,11H2,(H,23,26)/p+1