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

Systemtic Name: methyl 2-(2-methylpropanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 6-isopropyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylpropanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(isobutyrylamino)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-9(2)14(19)17-15-13(16(20)21-5)11-6-7-18(10(3)4)8-12(11)22-15/h9-10H,6-8H2,1-5H3,(H,17,19)/p+1