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

Systemtic Name: N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(4-methylthiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(4-methyl-2-thiazolyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(4-methylthiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C16H18F3N4OS+ MolecularWeight: 371.40053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H17F3N4OS/c1-10-9-25-15(21-10)22-14(24)11-4-6-23(7-5-11)13-3-2-12(8-20-13)16(17,18)19/h2-3,8-9,11H,4-7H2,1H3,(H,21,22,24)/p+1