3-azanyl-6-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-6-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-6-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-6-(4-methoxyphenyl)-4-(3-pyridin-1-iumyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-6-(4-methoxyphenyl)-4-pyridin-1-ium-3-ylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-6-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxamide Formula: C20H17N4O2S+ MolecularWeight: 377.43958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=C[NH+]=CC=C4)C(=C(S3)C(=O)N)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=C[NH+]=CC=C4)C(=C(S3)C(=O)N)N

InChI

InChI=1S/C20H16N4O2S/c1-26-13-6-4-11(5-7-13)15-9-14(12-3-2-8-23-10-12)16-17(21)18(19(22)25)27-20(16)24-15/h2-10H,21H2,1H3,(H2,22,25)/p+1