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

Systemtic Name: 6-methyl-2-(pentanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-methyl-2-(pentanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-(1-oxopentylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-methyl-2-(pentanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-methyl-2-(valerylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-3-4-5-11(17)15-13-12(14(18)19)9-6-7-16(2)8-10(9)20-13/h3-8H2,1-2H3,(H,15,17)(H,18,19)