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

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(2-hydroxy-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C19H21F3N3O2+ MolecularWeight: 380.38415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O2/c1-12-2-4-15(16(26)10-12)24-18(27)13-6-8-25(9-7-13)17-5-3-14(11-23-17)19(20,21)22/h2-5,10-11,13,26H,6-9H2,1H3,(H,24,27)/p+1