1,3-bis(2-hydroxyethyl)-4-methyl-pyrimidin-1-ium-2-thione; hydrogen sulfate

Systemtic Name: 1,3-bis(2-hydroxyethyl)-4-methyl-pyrimidin-1-ium-2-thione; hydrogen sulfate Openeye Name: 1,3-bis(2-hydroxyethyl)-4-methyl-pyrimidin-1-ium-2-thione; hydrogen sulfate CAS Name: 1,3-bis(2-hydroxyethyl)-4-methyl-2-pyrimidin-1-iumthione; hydrogen sulfate IUPAC Name: 1,3-bis(2-hydroxyethyl)-4-methylpyrimidin-1-ium-2-thione; hydrogen sulfate Traditional Name: 1,3-bis(2-hydroxyethyl)-4-methyl-pyrimidin-1-ium-2-thione bisulfate Formula: C9H16N2O6S2 MolecularWeight: 312.36314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C(=S)N1CCO)CCO.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C(=S)N1CCO)CCO.OS(=O)(=O)[O-]

InChI

InChI=1S/C9H15N2O2S.H2O4S/c1-8-2-3-10(4-6-12)9(14)11(8)5-7-13;1-5(2,3)4/h2-3,12-13H,4-7H2,1H3;(H2,1,2,3,4)/q+1;/p-1