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

Systemtic Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)furan-2-carboxylate Openeye Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)furan-2-carboxylate CAS Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-2-furancarboxylate IUPAC Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)furan-2-carboxylate Traditional Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-2-furoate Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1SC=C2)CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=C1SC=C2)CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C13H13NO3S/c15-13(16)11-2-1-10(17-11)8-14-5-3-12-9(7-14)4-6-18-12/h1-2,4,6H,3,5,7-8H2,(H,15,16)