1,3-bis(2-hydroxyethyl)-4-methyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate

Systemtic Name: 1,3-bis(2-hydroxyethyl)-4-methyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate Openeye Name: 1,3-bis(2-hydroxyethyl)-4-methyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate CAS Name: 1,3-bis(2-hydroxyethyl)-4-methyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate IUPAC Name: 1,3-bis(2-hydroxyethyl)-4-methyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate Traditional Name: 1,3-bis(2-hydroxyethyl)-4-methyl-1,4-dihydropyrimidin-1-ium-2-thione; hydron; sulfate Formula: C9H18N2O6S2 MolecularWeight: 314.37902

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1C=C[NH+](C(=S)N1CCO)CCO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CC1C=C[NH+](C(=S)N1CCO)CCO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C9H16N2O2S.H2O4S/c1-8-2-3-10(4-6-12)9(14)11(8)5-7-13;1-5(2,3)4/h2-3,8,12-13H,4-7H2,1H3;(H2,1,2,3,4)