N-(2,6-diethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxidanidyl-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxidanidyl-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-4-isobutoxy-6-methyl-1-oxido-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxido-2-(trifluoromethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxido-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-4-isobutoxy-6-methyl-1-oxido-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Formula: C22H27F3N2O3 MolecularWeight: 424.45659

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCC(C)C)C)[O-])C(F)(F)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCC(C)C)C)[O-])C(F)(F)F

InChI

InChI=1S/C22H27F3N2O3/c1-6-15-9-8-10-16(7-2)19(15)26-21(28)18-17(30-12-13(3)4)11-14(5)27(29)20(18)22(23,24)25/h8-11,13H,6-7,12H2,1-5H3,(H,26,28)