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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(2-pyridylmethyl)isonipecotamide Formula: C18H19ClF3N4O+ MolecularWeight: 399.81787

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=N2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=N2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4O/c19-15-9-13(18(20,21)22)10-24-16(15)26-7-4-12(5-8-26)17(27)25-11-14-3-1-2-6-23-14/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,25,27)/p+1