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

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C12H16ClF3N4O+2 MolecularWeight: 324.72985

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C12H14ClF3N4O/c13-9-5-8(12(14,15)16)6-18-11(9)20-3-1-19(2-4-20)7-10(17)21/h5-6H,1-4,7H2,(H2,17,21)/p+2