methyl 3-azanyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-6-methyl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C11H10F3N2O2S+ MolecularWeight: 291.26951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C(=C1)C(F)(F)F)C(=C(S2)C(=O)OC)N

Isomeric SMILES

CC1=[NH+]C2=C(C(=C1)C(F)(F)F)C(=C(S2)C(=O)OC)N

InChI

InChI=1S/C11H9F3N2O2S/c1-4-3-5(11(12,13)14)6-7(15)8(10(17)18-2)19-9(6)16-4/h3H,15H2,1-2H3/p+1