N-(2,6-dimethylphenyl)-2-(methylamino)-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(methylamino)-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(methylamino)-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-(methylamino)-4-(trifluoromethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(methylamino)-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(methylamino)-4-(trifluoromethyl)pyridin-1-ium-3-carboxamide Formula: C16H17F3N3O+ MolecularWeight: 324.32089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=C[NH+]=C2NC)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=C[NH+]=C2NC)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O/c1-9-5-4-6-10(2)13(9)22-15(23)12-11(16(17,18)19)7-8-21-14(12)20-3/h4-8H,1-3H3,(H,20,21)(H,22,23)/p+1