phenyl-[4-[(phenylmethyl)amino]-2-(trifluoromethyl)pyridin-1-ium-3-yl]methanone

Systemtic Name: phenyl-[4-[(phenylmethyl)amino]-2-(trifluoromethyl)pyridin-1-ium-3-yl]methanone Openeye Name: [4-(benzylamino)-2-(trifluoromethyl)pyridin-1-ium-3-yl]-phenyl-methanone CAS Name: phenyl-[4-[(phenylmethyl)amino]-2-(trifluoromethyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(benzylamino)-2-(trifluoromethyl)pyridin-1-ium-3-yl]-phenylmethanone Traditional Name: [4-(benzylamino)-2-(trifluoromethyl)pyridin-1-ium-3-yl]-phenyl-methanone Formula: C20H16F3N2O+ MolecularWeight: 357.34905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2O/c21-20(22,23)19-17(18(26)15-9-5-2-6-10-15)16(11-12-24-19)25-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,24,25)/p+1