2-methyl-5-nitro-isoquinolin-2-ium sulfate

Systemtic Name: 2-methyl-5-nitro-isoquinolin-2-ium sulfate Openeye Name: 2-methyl-5-nitro-isoquinolin-2-ium sulfate CAS Name: 2-methyl-5-nitroisoquinolin-2-ium sulfate IUPAC Name: 2-methyl-5-nitroisoquinolin-2-ium sulfate Traditional Name: 2-methyl-5-nitro-isoquinolin-2-ium sulfate Formula: C10H9N2O6S- MolecularWeight: 285.25326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H9N2O2.H2O4S/c1-11-6-5-9-8(7-11)3-2-4-10(9)12(13)14;1-5(2,3)4/h2-7H,1H3;(H2,1,2,3,4)/q+1;/p-2