(1-octoxypyrimidin-1-ium-4-yl) hydrogen sulfate

Systemtic Name: (1-octoxypyrimidin-1-ium-4-yl) hydrogen sulfate Openeye Name: (1-octoxypyrimidin-1-ium-4-yl) hydrogen sulfate CAS Name: sulfuric acid (1-octoxy-4-pyrimidin-1-iumyl) ester IUPAC Name: (1-octoxypyrimidin-1-ium-4-yl) hydrogen sulfate Traditional Name: sulfuric acid (1-octoxypyrimidin-1-ium-4-yl) ester Formula: C12H21N2O5S+ MolecularWeight: 305.37054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCO[N+]1=CN=C(C=C1)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCO[N+]1=CN=C(C=C1)OS(=O)(=O)O

InChI

InChI=1S/C12H20N2O5S/c1-2-3-4-5-6-7-10-18-14-9-8-12(13-11-14)19-20(15,16)17/h8-9,11H,2-7,10H2,1H3/p+1