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

Systemtic Name: 3-azanyl-N-(3,4-dimethylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-(3,4-dimethylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-(3,4-dimethylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-(3,4-dimethylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C22H19FN3OS+ MolecularWeight: 392.469163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3)C4=CC=C(C=C4)F)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3)C4=CC=C(C=C4)F)N)C

InChI

InChI=1S/C22H18FN3OS/c1-12-3-8-16(11-13(12)2)25-21(27)20-19(24)17-9-10-18(26-22(17)28-20)14-4-6-15(23)7-5-14/h3-11H,24H2,1-2H3,(H,25,27)/p+1