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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)azaniumyl]ethanoate Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)ammonio]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)ammonio]acetate IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)azaniumyl]acetate Traditional Name: 2-[cyclopentyl(piperonyl)ammonio]acetate Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)[O-]

InChI

InChI=1S/C15H19NO4/c17-15(18)9-16(12-3-1-2-4-12)8-11-5-6-13-14(7-11)20-10-19-13/h5-7,12H,1-4,8-10H2,(H,17,18)