N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]ethyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H24N3O4S2+ MolecularWeight: 434.55226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NCCN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C20H23N3O4S2/c24-18(12-22-7-2-1-3-8-22)21-6-9-23-19(25)17(29-20(23)28)11-14-4-5-15-16(10-14)27-13-26-15/h4-5,10-11H,1-3,6-9,12-13H2,(H,21,24)/p+1/b17-11+