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

Systemtic Name: N-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-thiazol-2-yl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(2-thiazolyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-thiazol-2-yl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C15H16F3N4OS+ MolecularWeight: 357.37395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC=CS2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC=CS2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H15F3N4OS/c16-15(17,18)11-1-2-12(20-9-11)22-6-3-10(4-7-22)13(23)21-14-19-5-8-24-14/h1-2,5,8-10H,3-4,6-7H2,(H,19,21,23)/p+1