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

Systemtic Name: hydron; 4-methyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-one; sulfate Openeye Name: hydron; 4-methyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-one; sulfate CAS Name: hydron; 4-methyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-one; sulfate IUPAC Name: hydron; 4-methyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-one; sulfate Traditional Name: hydron; 4-methyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-one; sulfate Formula: C11H22N2O5S MolecularWeight: 294.36778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O.H2O4S/c1-4-7-12-9-6-10(3)13(8-5-2)11(12)14;1-5(2,3)4/h6,9-10H,4-5,7-8H2,1-3H3;(H2,1,2,3,4)