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

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-2-methyl-propanamide Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-2-methyl-propanamide CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]-2-methylpropanamide IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-2-methylpropanamide Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-2-methyl-propionamide Formula: C14H19ClF3N4O+ MolecularWeight: 351.77507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)[NH+]1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C(=O)N)[NH+]1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H18ClF3N4O/c1-13(2,12(19)23)22-5-3-21(4-6-22)11-10(15)7-9(8-20-11)14(16,17)18/h7-8H,3-6H2,1-2H3,(H2,19,23)/p+1