6-methyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 6-methyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-methyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-methyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-methyl-2-nicotinamido-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C15H15N3O3S/c1-18-6-4-10-11(8-18)22-14(12(10)15(20)21)17-13(19)9-3-2-5-16-7-9/h2-3,5,7H,4,6,8H2,1H3,(H,17,19)(H,20,21)