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

Systemtic Name: (1-butoxypyrimidin-1-ium-4-yl) hydrogen sulfate Openeye Name: (1-butoxypyrimidin-1-ium-4-yl) hydrogen sulfate CAS Name: sulfuric acid (1-butoxy-4-pyrimidin-1-iumyl) ester IUPAC Name: (1-butoxypyrimidin-1-ium-4-yl) hydrogen sulfate Traditional Name: sulfuric acid (1-butoxypyrimidin-1-ium-4-yl) ester Formula: C8H13N2O5S+ MolecularWeight: 249.26422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O5S/c1-2-3-6-14-10-5-4-8(9-7-10)15-16(11,12)13/h4-5,7H,2-3,6H2,1H3/p+1