N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C14H18F3N4O2+ MolecularWeight: 331.31353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(=O)N)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC(=O)N)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H17F3N4O2/c15-14(16,17)10-1-2-12(19-7-10)21-5-3-9(4-6-21)13(23)20-8-11(18)22/h1-2,7,9H,3-6,8H2,(H2,18,22)(H,20,23)/p+1