2-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyloxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyloxy]ethyl-dimethyl-azanium Openeye Name: 2-[3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoyloxy]ethyl-dimethyl-ammonium CAS Name: 2-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropoxy]ethyl-dimethylammonium IUPAC Name: 2-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyloxy]ethyl-dimethylazanium Traditional Name: 2-[3-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)propanoyloxy]ethyl-dimethyl-ammonium Formula: C18H21N2O5S2+ MolecularWeight: 409.49974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC(=O)CCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

C[NH+](C)CCOC(=O)CCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

InChI

InChI=1S/C18H20N2O5S2/c1-19(2)7-8-23-16(21)5-6-20-17(22)15(27-18(20)26)10-12-3-4-13-14(9-12)25-11-24-13/h3-4,9-10H,5-8,11H2,1-2H3/p+1