hydrogen sulfate; 4-(2-methoxyethylsulfanylmethyl)pyrimidin-1-ium

Systemtic Name: hydrogen sulfate; 4-(2-methoxyethylsulfanylmethyl)pyrimidin-1-ium Openeye Name: hydrogen sulfate; 4-(2-methoxyethylsulfanylmethyl)pyrimidin-1-ium CAS Name: hydrogen sulfate; 4-[(2-methoxyethylthio)methyl]pyrimidin-1-ium IUPAC Name: hydrogen sulfate; 4-(2-methoxyethylsulfanylmethyl)pyrimidin-1-ium Traditional Name: 4-[(2-methoxyethylthio)methyl]pyrimidin-1-ium bisulfate Formula: C8H14N2O5S2 MolecularWeight: 282.33716

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Descriptors Computed from Structure

Canonical SMILES:

COCCSCC1=NC=[NH+]C=C1.OS(=O)(=O)[O-]

Isomeric SMILES

COCCSCC1=NC=[NH+]C=C1.OS(=O)(=O)[O-]

InChI

InChI=1S/C8H12N2OS.H2O4S/c1-11-4-5-12-6-8-2-3-9-7-10-8;1-5(2,3)4/h2-3,7H,4-6H2,1H3;(H2,1,2,3,4)