4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-ethyl-piperazine-1-carboxamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-ethyl-piperazine-1-carboxamide Formula: C13H17ClF3N4O+ MolecularWeight: 337.74849

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H16ClF3N4O/c1-2-18-12(22)21-5-3-20(4-6-21)11-10(14)7-9(8-19-11)13(15,16)17/h7-8H,2-6H2,1H3,(H,18,22)/p+1