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

Systemtic Name: 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline; methyl sulfate Openeye Name: 4-(1,3-dimethylimidazol-1-ium-2-yl)azoaniline; methyl sulfate CAS Name: 4-[(1,3-dimethyl-2-imidazol-1-iumyl)azo]aniline; methyl sulfate IUPAC Name: 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline; methyl sulfate Traditional Name: [4-(1,3-dimethylimidazol-1-ium-2-yl)azophenyl]amine; methyl sulfate Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5.CH4O4S/c1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;1-5-6(2,3)4/h3-8,12H,1-2H3;1H3,(H,2,3,4)