2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1H-imidazol-1-ium ethanoate

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1H-imidazol-1-ium ethanoate Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1H-imidazol-1-ium acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1H-imidazol-1-ium acetate IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1H-imidazol-1-ium acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1H-imidazol-1-ium acetate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=CN=C1CC2COC3=CC=CC=C3O2.CC(=O)[O-]

Isomeric SMILES

CC[NH+]1C=CN=C1CC2COC3=CC=CC=C3O2.CC(=O)[O-]

InChI

InChI=1S/C14H16N2O2.C2H4O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11;1-2(3)4/h3-8,11H,2,9-10H2,1H3;1H3,(H,3,4)