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

Systemtic Name: ethyl 3-phenyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)thieno[3,2-b]pyridin-4-ium-6-carboxylate Openeye Name: ethyl 3-phenyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)thieno[3,2-b]pyridin-4-ium-6-carboxylate CAS Name: 3-phenyl-7-(1-pyrrolidinyl)-2-(trifluoromethyl)-6-thieno[3,2-b]pyridin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-phenyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)thieno[3,2-b]pyridin-4-ium-6-carboxylate Traditional Name: 3-phenyl-7-pyrrolidino-2-(trifluoromethyl)thieno[3,2-b]pyridin-4-ium-6-carboxylic acid ethyl ester Formula: C21H20F3N2O2S+ MolecularWeight: 421.45591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C(SC2=C1N3CCCC3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(SC2=C1N3CCCC3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H19F3N2O2S/c1-2-28-20(27)14-12-25-16-15(13-8-4-3-5-9-13)19(21(22,23)24)29-18(16)17(14)26-10-6-7-11-26/h3-5,8-9,12H,2,6-7,10-11H2,1H3/p+1