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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)azaniumyl]ethanoate Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(benzyl)ammonio]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)ammonio]acetate IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(benzyl)azaniumyl]acetate Traditional Name: 2-[benzyl(piperonyl)ammonio]acetate Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH+](CC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH+](CC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C17H17NO4/c19-17(20)11-18(9-13-4-2-1-3-5-13)10-14-6-7-15-16(8-14)22-12-21-15/h1-8H,9-12H2,(H,19,20)