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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(2-methylpropyl)azaniumyl]ethanoate Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(isobutyl)ammonio]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(2-methylpropyl)ammonio]acetate IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(2-methylpropyl)azaniumyl]acetate Traditional Name: 2-[isobutyl(piperonyl)ammonio]acetate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-10(2)6-15(8-14(16)17)7-11-3-4-12-13(5-11)19-9-18-12/h3-5,10H,6-9H2,1-2H3,(H,16,17)