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

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-methyl-2-(piperonyloylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C17H18N3O4S+ MolecularWeight: 360.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-20-5-4-10-13(7-20)25-17(14(10)15(18)21)19-16(22)9-2-3-11-12(6-9)24-8-23-11/h2-3,6H,4-5,7-8H2,1H3,(H2,18,21)(H,19,22)/p+1