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

Systemtic Name: methyl 6-piperidin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 6-(1-piperidyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 6-(1-piperidinyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-piperidin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 6-piperidino-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C15H16F3N2O2S+ MolecularWeight: 345.35995

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)[NH+]=C(C=C2C(F)(F)F)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(S1)[NH+]=C(C=C2C(F)(F)F)N3CCCCC3

InChI

InChI=1S/C15H15F3N2O2S/c1-22-14(21)11-7-9-10(15(16,17)18)8-12(19-13(9)23-11)20-5-3-2-4-6-20/h7-8H,2-6H2,1H3/p+1