3-[1,3-benzodioxol-5-ylcarbonyl(methyl)amino]propylazanium

Systemtic Name: 3-[1,3-benzodioxol-5-ylcarbonyl(methyl)amino]propylazanium Openeye Name: 3-[1,3-benzodioxole-5-carbonyl(methyl)amino]propylammonium CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]-methylamino]propylammonium IUPAC Name: 3-[1,3-benzodioxole-5-carbonyl(methyl)amino]propylazanium Traditional Name: 3-[methyl(piperonyloyl)amino]propylammonium Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH3+])C(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(CCC[NH3+])C(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H16N2O3/c1-14(6-2-5-13)12(15)9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,2,5-6,8,13H2,1H3/p+1