methyl 3-azanyl-6-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-amino-6-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-(3-pyridin-1-iumyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C14H12N3O2S+ MolecularWeight: 286.32898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=C[NH+]=CC=C3)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=C[NH+]=CC=C3)N

InChI

InChI=1S/C14H11N3O2S/c1-19-14(18)12-11(15)9-4-5-10(17-13(9)20-12)8-3-2-6-16-7-8/h2-7H,15H2,1H3/p+1