N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]ethyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C19H22N3O4S2+ MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NCCN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C19H21N3O4S2/c23-17(11-21-6-1-2-7-21)20-5-8-22-18(24)16(28-19(22)27)10-13-3-4-14-15(9-13)26-12-25-14/h3-4,9-10H,1-2,5-8,11-12H2,(H,20,23)/p+1/b16-10+