3-[[(1,3-benzodioxol-5-ylcarbonylamino)-propoxy-methylidene]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1,3-benzodioxol-5-ylcarbonylamino)-propoxy-methylidene]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(1,3-benzodioxole-5-carbonylamino)-propoxy-methylene]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-propoxymethylidene]amino]propyl-dimethylammonium IUPAC Name: 3-[[(1,3-benzodioxole-5-carbonylamino)-propoxymethylidene]amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[[(piperonyloylamino)-propoxy-methylene]amino]propyl]ammonium Formula: C17H26N3O4+ MolecularWeight: 336.40604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=NCCC[NH+](C)C)NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCOC(=NCCC[NH+](C)C)NC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H25N3O4/c1-4-10-22-17(18-8-5-9-20(2)3)19-16(21)13-6-7-14-15(11-13)24-12-23-14/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,18,19,21)/p+1