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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methylpiperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-isonipecotamide Formula: C13H16ClF3N3O+ MolecularWeight: 322.73385

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CNC(=O)C1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H15ClF3N3O/c1-18-12(21)8-2-4-20(5-3-8)11-10(14)6-9(7-19-11)13(15,16)17/h6-8H,2-5H2,1H3,(H,18,21)/p+1