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

Systemtic Name: (3R)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxamide Openeye Name: (3R)-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxamide CAS Name: (3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxamide Traditional Name: (3R)-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]nipecotamide Formula: C12H14ClF3N3O+ MolecularWeight: 308.70727

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)N

InChI

InChI=1S/C12H13ClF3N3O/c13-9-4-8(12(14,15)16)5-18-11(9)19-3-1-2-7(6-19)10(17)20/h4-5,7H,1-3,6H2,(H2,17,20)/p+1/t7-/m1/s1