2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-ium-1-yl]acetate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H18N2O4/c17-14(18)10-15-3-5-16(6-4-15)11-1-2-12-13(9-11)20-8-7-19-12/h1-2,9H,3-8,10H2,(H,17,18)