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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C19H20ClF3N3O+ MolecularWeight: 398.82981

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C19H19ClF3N3O/c20-16-10-15(19(21,22)23)12-24-17(16)26-8-6-14(7-9-26)18(27)25-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,25,27)/p+1