2-(1,3-benzodioxol-5-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(piperonyloylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O5S/c1-2-20-6-5-11-14(8-20)26-17(15(11)18(22)23)19-16(21)10-3-4-12-13(7-10)25-9-24-12/h3-4,7H,2,5-6,8-9H2,1H3,(H,19,21)(H,22,23)