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

Systemtic Name: 6-ethyl-2-(propanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-ethyl-2-(propanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-(1-oxopropylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-ethyl-2-(propanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-propionamido-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)C[NH+](CC2)CC)C(=O)[O-]

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)C[NH+](CC2)CC)C(=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-3-10(16)14-12-11(13(17)18)8-5-6-15(4-2)7-9(8)19-12/h3-7H2,1-2H3,(H,14,16)(H,17,18)