2-[(3E)-3-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)-2-oxidanylidene-indol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(3E)-3-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)-2-oxidanylidene-indol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(3E)-3-(1,3-benzodioxole-5-carbonylhydrazono)-2-oxo-indolin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(3E)-3-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]-2-oxo-1-indolyl]ethyl-diethylammonium IUPAC Name: 2-[(3E)-3-(1,3-benzodioxole-5-carbonylhydrazinylidene)-2-oxoindol-1-yl]ethyl-diethylazanium Traditional Name: diethyl-[2-[(3E)-2-keto-3-(piperonyloylhydrazono)indolin-1-yl]ethyl]ammonium Formula: C22H25N4O4+ MolecularWeight: 409.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2C(=NNC(=O)C3=CC4=C(C=C3)OCO4)C1=O

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2/C(=N\NC(=O)C3=CC4=C(C=C3)OCO4)/C1=O

InChI

InChI=1S/C22H24N4O4/c1-3-25(4-2)11-12-26-17-8-6-5-7-16(17)20(22(26)28)23-24-21(27)15-9-10-18-19(13-15)30-14-29-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,27)/p+1/b23-20+