hydrogen sulfate; 1,3,4-trimethylpyrimidin-1-ium-2-thione

Systemtic Name: hydrogen sulfate; 1,3,4-trimethylpyrimidin-1-ium-2-thione Openeye Name: hydrogen sulfate; 1,3,4-trimethylpyrimidin-1-ium-2-thione CAS Name: hydrogen sulfate; 1,3,4-trimethyl-2-pyrimidin-1-iumthione IUPAC Name: hydrogen sulfate; 1,3,4-trimethylpyrimidin-1-ium-2-thione Traditional Name: 1,3,4-trimethylpyrimidin-1-ium-2-thione bisulfate Formula: C7H12N2O4S2 MolecularWeight: 252.31118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C(=S)N1C)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C(=S)N1C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C7H11N2S.H2O4S/c1-6-4-5-8(2)7(10)9(6)3;1-5(2,3)4/h4-5H,1-3H3;(H2,1,2,3,4)/q+1;/p-1