4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxy-N,N-dimethyl-aniline; methyl sulfate

Systemtic Name: 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxy-N,N-dimethyl-aniline; methyl sulfate Openeye Name: 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)azo]-2,5-dimethoxy-N,N-dimethyl-aniline; methyl sulfate CAS Name: 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)azo]-2,5-dimethoxy-N,N-dimethylaniline; methyl sulfate IUPAC Name: 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-2,5-dimethoxy-N,N-dimethylaniline; methyl sulfate Traditional Name: [4-[(1,3-dimethyl-4-imidazolin-1-ium-2-yl)azo]-2,5-dimethoxy-phenyl]-dimethyl-amine; methyl sulfate Formula: C16H27N5O6S MolecularWeight: 417.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=CN(C1N=NC2=CC(=C(C=C2OC)N(C)C)OC)C.COS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C=CN(C1N=NC2=CC(=C(C=C2OC)N(C)C)OC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H23N5O2.CH4O4S/c1-18(2)12-10-13(21-5)11(9-14(12)22-6)16-17-15-19(3)7-8-20(15)4;1-5-6(2,3)4/h7-10,15H,1-6H3;1H3,(H,2,3,4)