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

Systemtic Name: (4-fluorophenyl) 4-azanyl-2,3-dimethyl-thieno[2,3-b]pyridin-7-ium-6-carboxylate Openeye Name: (4-fluorophenyl) 4-amino-2,3-dimethyl-thieno[2,3-b]pyridin-7-ium-6-carboxylate CAS Name: 4-amino-2,3-dimethyl-6-thieno[2,3-b]pyridin-7-iumcarboxylic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 4-amino-2,3-dimethylthieno[2,3-b]pyridin-7-ium-6-carboxylate Traditional Name: 4-amino-2,3-dimethyl-thieno[2,3-b]pyridin-7-ium-6-carboxylic acid (4-fluorophenyl) ester Formula: C16H14FN2O2S+ MolecularWeight: 317.357963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=[NH+]2)C(=O)OC3=CC=C(C=C3)F)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=[NH+]2)C(=O)OC3=CC=C(C=C3)F)N)C

InChI

InChI=1S/C16H13FN2O2S/c1-8-9(2)22-15-14(8)12(18)7-13(19-15)16(20)21-11-5-3-10(17)4-6-11/h3-7H,1-2H3,(H2,18,19)/p+1