N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-piperazine-1,4-diium-1-yl-ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-piperazine-1,4-diium-1-yl-ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-piperazine-1,4-diium-1-yl-acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-piperazine-1,4-diium-1-ylacetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-piperazine-1,4-diium-1-yl-acetamide Formula: C13H17ClF3N3O+2 MolecularWeight: 323.74179

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C13H15ClF3N3O/c14-11-2-1-9(7-10(11)13(15,16)17)19-12(21)8-20-5-3-18-4-6-20/h1-2,7,18H,3-6,8H2,(H,19,21)/p+2