4-[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]butanoate

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]butanoate Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)ammonio]butanoate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)ammonio]butanoate IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]butanoate Traditional Name: 4-[methyl(piperonyl)ammonio]butyrate Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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