2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-1,2-dioxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-keto-2-(piperonylamino)acetyl]amino]ethyl-dimethyl-ammonium Formula: C14H20N3O4+ MolecularWeight: 294.3263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[NH+](C)CCNC(=O)C(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H19N3O4/c1-17(2)6-5-15-13(18)14(19)16-8-10-3-4-11-12(7-10)21-9-20-11/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,18)(H,16,19)/p+1