3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]propanoate

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]propanoate Openeye Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]propanoate CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]propanoate IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]propanoate Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]propionate Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)[O-])CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[NH+](CCC(=O)[O-])CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H17NO4/c1-14(5-4-13(15)16)9-10-2-3-11-12(8-10)18-7-6-17-11/h2-3,8H,4-7,9H2,1H3,(H,15,16)