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

Systemtic Name: ethyl 3-azanyl-6-pyridin-1-ium-3-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H14N3O2S+ MolecularWeight: 300.35556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-2-20-15(19)13-12(16)10-5-6-11(18-14(10)21-13)9-4-3-7-17-8-9/h3-8H,2,16H2,1H3/p+1