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

Systemtic Name: methyl 6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 6-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-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-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(isobutyrylamino)-6-methyl-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)C(=O)NC1=C(C2=C(S1)C[NH+](CC2)C)C(=O)OC

Isomeric SMILES

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

InChI

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