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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazol-1-ium ethanoate Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazol-1-ium acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazol-1-ium acetate IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazol-1-ium acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazol-1-ium acetate Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1C(OC2=CC=CC=C2O1)CC3=NC=C[NH2+]3

Isomeric SMILES

CC(=O)[O-].C1C(OC2=CC=CC=C2O1)CC3=NC=C[NH2+]3

InChI

InChI=1S/C12H12N2O2.C2H4O2/c1-2-4-11-10(3-1)15-8-9(16-11)7-12-13-5-6-14-12;1-2(3)4/h1-6,9H,7-8H2,(H,13,14);1H3,(H,3,4)