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

Systemtic Name: 3-chloranyl-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline; methyl sulfate Openeye Name: 3-chloro-4-(1,3-dimethylimidazol-1-ium-2-yl)azo-aniline; methyl sulfate CAS Name: 3-chloro-4-[(1,3-dimethyl-2-imidazol-1-iumyl)azo]aniline; methyl sulfate IUPAC Name: 3-chloro-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline; methyl sulfate Traditional Name: [3-chloro-4-(1,3-dimethylimidazol-1-ium-2-yl)azo-phenyl]amine; methyl sulfate Formula: C12H16ClN5O4S MolecularWeight: 361.80454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClN5.CH4O4S/c1-16-5-6-17(2)11(16)15-14-10-4-3-8(13)7-9(10)12;1-5-6(2,3)4/h3-7,13H,1-2H3;1H3,(H,2,3,4)