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

Systemtic Name: 6-methyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-methyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-[(3-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-methyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(isovalerylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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