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

Systemtic Name: methyl 6-ethyl-2-(propanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 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-carboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-4-11(17)15-13-12(14(18)19-3)9-6-7-16(5-2)8-10(9)20-13/h4-8H2,1-3H3,(H,15,17)/p+1