1,3-diethyl-4-methyl-1,4-dihydropyrimidin-1-ium-2-one; hydron; sulfate

Systemtic Name: 1,3-diethyl-4-methyl-1,4-dihydropyrimidin-1-ium-2-one; hydron; sulfate Openeye Name: 1,3-diethyl-4-methyl-1,4-dihydropyrimidin-1-ium-2-one; hydron; sulfate CAS Name: 1,3-diethyl-4-methyl-1,4-dihydropyrimidin-1-ium-2-one; hydron; sulfate IUPAC Name: 1,3-diethyl-4-methyl-1,4-dihydropyrimidin-1-ium-2-one; hydron; sulfate Traditional Name: 1,3-diethyl-4-methyl-1,4-dihydropyrimidin-1-ium-2-one; hydron; sulfate Formula: C9H18N2O5S MolecularWeight: 266.31462

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC[NH+]1C=CC(N(C1=O)CC)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CC[NH+]1C=CC(N(C1=O)CC)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C9H16N2O.H2O4S/c1-4-10-7-6-8(3)11(5-2)9(10)12;1-5(2,3)4/h6-8H,4-5H2,1-3H3;(H2,1,2,3,4)