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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-1H-imidazol-3-ium sulfate Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-1H-imidazol-3-ium sulfate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-1H-imidazol-3-ium sulfate IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-1H-imidazol-3-ium sulfate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-1H-imidazol-3-ium sulfate Formula: C28H34N4O8S MolecularWeight: 586.65656

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CC2COC3=CC=CC=C3O2.CC[N+]1=C(NC=C1)CC2COC3=CC=CC=C3O2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(NC=C1)CC2COC3=CC=CC=C3O2.CC[N+]1=C(NC=C1)CC2COC3=CC=CC=C3O2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C14H16N2O2.H2O4S/c2*1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11;1-5(2,3)4/h2*3-8,11H,2,9-10H2,1H3;(H2,1,2,3,4)