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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(phenylmethyl)-1H-imidazol-1-ium ethanoate Openeye Name: 1-benzyl-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)-1-(phenylmethyl)-1H-imidazol-1-ium acetate IUPAC Name: 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazol-1-ium acetate Traditional Name: 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1H-imidazol-1-ium acetate Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1C(OC2=CC=CC=C2O1)CC3=NC=C[NH+]3CC4=CC=CC=C4

Isomeric SMILES

CC(=O)[O-].C1C(OC2=CC=CC=C2O1)CC3=NC=C[NH+]3CC4=CC=CC=C4

InChI

InChI=1S/C19H18N2O2.C2H4O2/c1-2-6-15(7-3-1)13-21-11-10-20-19(21)12-16-14-22-17-8-4-5-9-18(17)23-16;1-2(3)4/h1-11,16H,12-14H2;1H3,(H,3,4)