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

Systemtic Name: 6-ethyl-2-(pentanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-ethyl-2-(pentanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-(1-oxopentylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-ethyl-2-(pentanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(valerylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C15H22N2O3S MolecularWeight: 310.41178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-3-5-6-12(18)16-14-13(15(19)20)10-7-8-17(4-2)9-11(10)21-14/h3-9H2,1-2H3,(H,16,18)(H,19,20)