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

Systemtic Name: methyl 6-ethyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 6-ethyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-[(2-methyl-1-oxopropyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(isobutyrylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C15H23N2O3S+ MolecularWeight: 311.41972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-5-17-7-6-10-11(8-17)21-14(12(10)15(19)20-4)16-13(18)9(2)3/h9H,5-8H2,1-4H3,(H,16,18)/p+1