methyl 6-azanyl-5-cyano-2-methyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-2-methyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-methyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-(trifluoromethyl)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-2-methyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-(trifluoromethyl)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C10H9F3N3O2+ MolecularWeight: 260.19257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[NH+]1)N)C#N)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=[NH+]1)N)C#N)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C10H8F3N3O2/c1-4-6(9(17)18-2)7(10(11,12)13)5(3-14)8(15)16-4/h1-2H3,(H2,15,16)/p+1