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

Systemtic Name: 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]propionamide Formula: C13H17ClF3N4O+ MolecularWeight: 337.74849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClF3N4O/c14-10-7-9(13(15,16)17)8-19-12(10)21-5-3-20(4-6-21)2-1-11(18)22/h7-8H,1-6H2,(H2,18,22)/p+1