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

Systemtic Name: N-[3-(ethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[3-(ethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[3-(ethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(ethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[3-(ethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C21H24F3N4O2+ MolecularWeight: 421.43607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O2/c1-2-25-19(29)15-4-3-5-17(12-15)27-20(30)14-8-10-28(11-9-14)18-7-6-16(13-26-18)21(22,23)24/h3-7,12-14H,2,8-11H2,1H3,(H,25,29)(H,27,30)/p+1