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

Systemtic Name: 5-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-2-carboxylate Openeye Name: 5-isopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-2-carboxylate CAS Name: 5-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-2-carboxylate IUPAC Name: 5-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-2-carboxylate Traditional Name: 5-isopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-2-carboxylate Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)C=C(S2)C(=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)C=C(S2)C(=O)[O-]

InChI

InChI=1S/C11H15NO2S/c1-7(2)12-4-3-9-8(6-12)5-10(15-9)11(13)14/h5,7H,3-4,6H2,1-2H3,(H,13,14)