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

Systemtic Name: 2-acetamido-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 2-acetamido-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-acetamido-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 2-acetamido-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-acetamido-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C11H14N2O3S MolecularWeight: 254.30546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c1-6(14)12-10-9(11(15)16)7-3-4-13(2)5-8(7)17-10/h3-5H2,1-2H3,(H,12,14)(H,15,16)