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

Systemtic Name: 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethyl-aniline; methyl sulfate Openeye Name: 4-(1,3-dimethylimidazol-1-ium-2-yl)azo-N,N-dimethyl-aniline; methyl sulfate CAS Name: 4-[(1,3-dimethyl-2-imidazol-1-iumyl)azo]-N,N-dimethylaniline; methyl sulfate IUPAC Name: 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline; methyl sulfate Traditional Name: [4-(1,3-dimethylimidazol-1-ium-2-yl)azophenyl]-dimethyl-amine; methyl sulfate Formula: C14H21N5O4S MolecularWeight: 355.41264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H18N5.CH4O4S/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-5-6(2,3)4/h5-10H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1