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

Systemtic Name: 2-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyloxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoyloxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyloxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]butanoyloxy]ethyl-dimethyl-ammonium Formula: C19H23N2O5S2+ MolecularWeight: 423.52632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC(=O)CCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

C[NH+](C)CCOC(=O)CCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C19H22N2O5S2/c1-20(2)8-9-24-17(22)4-3-7-21-18(23)16(28-19(21)27)11-13-5-6-14-15(10-13)26-12-25-14/h5-6,10-11H,3-4,7-9,12H2,1-2H3/p+1/b16-11-