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

Systemtic Name: 6-azanyl-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide Openeye Name: 6-amino-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide CAS Name: 6-amino-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-3-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 6-amino-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-3-carboxamide Traditional Name: 6-amino-2-(4-fluorophenyl)-N-o-phenetyl-thieno[2,3-b]pyridin-7-ium-3-carboxamide Formula: C22H19FN3O2S+ MolecularWeight: 408.468563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2C=CC(=[NH+]3)N)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2C=CC(=[NH+]3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O2S/c1-2-28-17-6-4-3-5-16(17)25-21(27)19-15-11-12-18(24)26-22(15)29-20(19)13-7-9-14(23)10-8-13/h3-12H,2H2,1H3,(H2,24,26)(H,25,27)/p+1