1,3-diethyl-4-methyl-pyrimidin-1-ium-2-thione; hydrogen sulfate

Systemtic Name: 1,3-diethyl-4-methyl-pyrimidin-1-ium-2-thione; hydrogen sulfate Openeye Name: 1,3-diethyl-4-methyl-pyrimidin-1-ium-2-thione; hydrogen sulfate CAS Name: 1,3-diethyl-4-methyl-2-pyrimidin-1-iumthione; hydrogen sulfate IUPAC Name: 1,3-diethyl-4-methylpyrimidin-1-ium-2-thione; hydrogen sulfate Traditional Name: 1,3-diethyl-4-methyl-pyrimidin-1-ium-2-thione bisulfate Formula: C9H16N2O4S2 MolecularWeight: 280.36434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=[N+](C1=S)CC)C.OS(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=CC=[N+](C1=S)CC)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C9H15N2S.H2O4S/c1-4-10-7-6-8(3)11(5-2)9(10)12;1-5(2,3)4/h6-7H,4-5H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1