hydrogen sulfate; N5,N5,1-trimethyl-1H-pyrazol-1-ium-4,5-diamine

Systemtic Name: hydrogen sulfate; N5,N5,1-trimethyl-1H-pyrazol-1-ium-4,5-diamine Openeye Name: hydrogen sulfate; N5,N5,1-trimethyl-1H-pyrazol-1-ium-4,5-diamine CAS Name: hydrogen sulfate; N5,N5,1-trimethyl-1H-pyrazol-1-ium-4,5-diamine IUPAC Name: hydrogen sulfate; 5-N,5-N,1-trimethyl-1H-pyrazol-1-ium-4,5-diamine Traditional Name: (4-amino-1-methyl-1H-pyrazol-1-ium-5-yl)-dimethyl-amine dibisulfate Formula: C6H15N4O8S2- MolecularWeight: 335.3353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(=C(C=N1)N)N(C)C.OS(=O)(=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C(=C(C=N1)N)N(C)C.OS(=O)(=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C6H12N4.2H2O4S/c1-9(2)6-5(7)4-8-10(6)3;2*1-5(2,3)4/h4H,7H2,1-3H3;2*(H2,1,2,3,4)/p-1