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

Systemtic Name: 6-ethyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-ethyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-[(2-ethyl-1-oxobutyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-ethyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-4-10(5-2)14(19)17-15-13(16(20)21)11-7-8-18(6-3)9-12(11)22-15/h10H,4-9H2,1-3H3,(H,17,19)(H,20,21)