6-[(phenylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(phenylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(phenylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Formula: C20H17F3N3O+ MolecularWeight: 372.36369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O/c21-20(22,23)16-7-4-8-17(11-16)26-19(27)15-9-10-18(25-13-15)24-12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,24,25)(H,26,27)/p+1