2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-piperonyloylpiperazin-1-ium-1-yl)acetate Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H16N2O5/c17-13(18)8-15-3-5-16(6-4-15)14(19)10-1-2-11-12(7-10)21-9-20-11/h1-2,7H,3-6,8-9H2,(H,17,18)