3-(1,3-benzodioxol-5-ylcarbonyloxy)propyl-dimethyl-azanium

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyloxy)propyl-dimethyl-azanium Openeye Name: 3-(1,3-benzodioxole-5-carbonyloxy)propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methoxy]propyl-dimethylammonium IUPAC Name: 3-(1,3-benzodioxole-5-carbonyloxy)propyl-dimethylazanium Traditional Name: dimethyl(3-piperonyloyloxypropyl)ammonium Formula: C13H18NO4+ MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-14(2)6-3-7-16-13(15)10-4-5-11-12(8-10)18-9-17-11/h4-5,8H,3,6-7,9H2,1-2H3/p+1