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

Systemtic Name: N-(2,3-dimethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C20H23F3N3O+ MolecularWeight: 378.41133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C20H22F3N3O/c1-13-4-3-5-17(14(13)2)25-19(27)15-8-10-26(11-9-15)18-7-6-16(12-24-18)20(21,22)23/h3-7,12,15H,8-11H2,1-2H3,(H,25,27)/p+1