methyl 6-pyrrolidin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: methyl 6-pyrrolidin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 6-pyrrolidin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 6-(1-pyrrolidinyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-pyrrolidin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 6-pyrrolidino-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C14H14F3N2O2S+ MolecularWeight: 331.33337

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)[NH+]=C(C=C2C(F)(F)F)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(S1)[NH+]=C(C=C2C(F)(F)F)N3CCCC3

InChI

InChI=1S/C14H13F3N2O2S/c1-21-13(20)10-6-8-9(14(15,16)17)7-11(18-12(8)22-10)19-4-2-3-5-19/h6-7H,2-5H2,1H3/p+1