2-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)azaniumyl]ethanoate

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)azaniumyl]ethanoate Openeye Name: 2-[allyl(1,3-benzodioxol-5-ylmethyl)ammonio]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)ammonio]acetate IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)azaniumyl]acetate Traditional Name: 2-[allyl(piperonyl)ammonio]acetate Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)[O-]

Isomeric SMILES

C=CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-2-5-14(8-13(15)16)7-10-3-4-11-12(6-10)18-9-17-11/h2-4,6H,1,5,7-9H2,(H,15,16)