2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetate Formula: C12H13ClF3N3O2 MolecularWeight: 323.69873

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C12H13ClF3N3O2/c13-9-5-8(12(14,15)16)6-17-11(9)19-3-1-18(2-4-19)7-10(20)21/h5-6H,1-4,7H2,(H,20,21)