4-[(1-methylpyridin-1-ium-2-yl)diazenyl]aniline; methyl sulfate

Systemtic Name: 4-[(1-methylpyridin-1-ium-2-yl)diazenyl]aniline; methyl sulfate Openeye Name: 4-(1-methylpyridin-1-ium-2-yl)azoaniline; methyl sulfate CAS Name: 4-[(1-methyl-2-pyridin-1-iumyl)azo]aniline; methyl sulfate IUPAC Name: 4-[(1-methylpyridin-1-ium-2-yl)diazenyl]aniline; methyl sulfate Traditional Name: [4-(1-methylpyridin-1-ium-2-yl)azophenyl]amine; methyl sulfate Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1N=NC2=CC=C(C=C2)N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1N=NC2=CC=C(C=C2)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H12N4.CH4O4S/c1-16-9-3-2-4-12(16)15-14-11-7-5-10(13)6-8-11;1-5-6(2,3)4/h2-9,13H,1H3;1H3,(H,2,3,4)