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

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-methyl-2-(pivaloylamino)-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)(C)C(=O)NC1=C(C2=C(S1)C[NH+](CC2)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-14(2,3)13(19)15-11-10(12(17)18)8-5-6-16(4)7-9(8)20-11/h5-7H2,1-4H3,(H,15,19)(H,17,18)