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

Systemtic Name: methyl 6-(azepan-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 6-(azepan-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 6-(1-azepanyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-(azepan-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 6-(azepan-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C16H18F3N2O2S+ MolecularWeight: 359.38653

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)[NH+]=C(C=C2C(F)(F)F)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(S1)[NH+]=C(C=C2C(F)(F)F)N3CCCCCC3

InChI

InChI=1S/C16H17F3N2O2S/c1-23-15(22)12-8-10-11(16(17,18)19)9-13(20-14(10)24-12)21-6-4-2-3-5-7-21/h8-9H,2-7H2,1H3/p+1