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

Systemtic Name: 3-azanyl-6-(4-fluorophenyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-6-(4-fluorophenyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-6-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-6-(4-fluorophenyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-6-(4-fluorophenyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C21H17FN3O2S+ MolecularWeight: 394.441983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C3=C2C(=C(S3)C(=O)N)N)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]C3=C2C(=C(S3)C(=O)N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O2S/c1-27-14-8-4-11(5-9-14)15-10-16(12-2-6-13(22)7-3-12)25-21-17(15)18(23)19(28-21)20(24)26/h2-10H,23H2,1H3,(H2,24,26)/p+1