methyl 1-oxidanidyl-2,6-bis[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-carboxylate

Systemtic Name: methyl 1-oxidanidyl-2,6-bis[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-carboxylate Openeye Name: methyl 1-oxido-2,6-bis[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-carboxylate CAS Name: 1-oxido-2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-oxido-2,6-bis[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-oxido-2,6-bis[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-carboxylic acid methyl ester Formula: C21H13F6NO3 MolecularWeight: 441.323239

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=[N+](C(=C1)C2=CC=C(C=C2)C(F)(F)F)[O-])C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=[N+](C(=C1)C2=CC=C(C=C2)C(F)(F)F)[O-])C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H13F6NO3/c1-31-19(29)14-10-17(12-2-6-15(7-3-12)20(22,23)24)28(30)18(11-14)13-4-8-16(9-5-13)21(25,26)27/h2-11H,1H3