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

Systemtic Name: methyl 2-acetamido-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-acetamido-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-acetamido-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-acetamido-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-acetamido-6-isopropyl-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:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C

InChI

InChI=1S/C14H20N2O3S/c1-8(2)16-6-5-10-11(7-16)20-13(15-9(3)17)12(10)14(18)19-4/h8H,5-7H2,1-4H3,(H,15,17)/p+1