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

Systemtic Name: N-(2,6-diethylphenyl)-6-methyl-1-oxidanidyl-4-propoxy-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-2-(trifluoromethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Formula: C21H25F3N2O3 MolecularWeight: 410.43001

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2CC)CC)C(F)(F)F)[O-])C

Isomeric SMILES

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2CC)CC)C(F)(F)F)[O-])C

InChI

InChI=1S/C21H25F3N2O3/c1-5-11-29-16-12-13(4)26(28)19(21(22,23)24)17(16)20(27)25-18-14(6-2)9-8-10-15(18)7-3/h8-10,12H,5-7,11H2,1-4H3,(H,25,27)