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

Systemtic Name: 2-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]acetyl]amino]ethyl-dimethyl-ammonium Formula: C17H20N3O4S2+ MolecularWeight: 394.4884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

C[NH+](C)CCNC(=O)CN1C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C17H19N3O4S2/c1-19(2)6-5-18-15(21)9-20-16(22)14(26-17(20)25)8-11-3-4-12-13(7-11)24-10-23-12/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,18,21)/p+1/b14-8+