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

Systemtic Name: 3-[[(1,3-benzodioxol-5-ylcarbonylamino)-ethoxy-methylidene]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(1,3-benzodioxole-5-carbonylamino)-ethoxy-methylene]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-ethoxymethylidene]amino]propyl-dimethylammonium IUPAC Name: 3-[[(1,3-benzodioxole-5-carbonylamino)-ethoxymethylidene]amino]propyl-dimethylazanium Traditional Name: 3-[[ethoxy-(piperonyloylamino)methylene]amino]propyl-dimethyl-ammonium Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-4-21-16(17-8-5-9-19(2)3)18-15(20)12-6-7-13-14(10-12)23-11-22-13/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,18,20)/p+1