1,3-bis(2-hydroxyethyl)-4,6-dimethyl-pyrimidin-1-ium-2-thione; hydrogen sulfate

Systemtic Name: 1,3-bis(2-hydroxyethyl)-4,6-dimethyl-pyrimidin-1-ium-2-thione; hydrogen sulfate Openeye Name: 1,3-bis(2-hydroxyethyl)-4,6-dimethyl-pyrimidin-1-ium-2-thione; hydrogen sulfate CAS Name: 1,3-bis(2-hydroxyethyl)-4,6-dimethyl-2-pyrimidin-1-iumthione; hydrogen sulfate IUPAC Name: 1,3-bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-thione; hydrogen sulfate Traditional Name: 1,3-bis(2-hydroxyethyl)-4,6-dimethyl-pyrimidin-1-ium-2-thione bisulfate Formula: C10H18N2O6S2 MolecularWeight: 326.38972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N2O2S.H2O4S/c1-8-7-9(2)12(4-6-14)10(15)11(8)3-5-13;1-5(2,3)4/h7,13-14H,3-6H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1