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

Systemtic Name: 4-[(1,3-dimethylpyridin-1-ium-2-yl)diazenyl]aniline; methyl sulfate Openeye Name: 4-(1,3-dimethylpyridin-1-ium-2-yl)azoaniline; methyl sulfate CAS Name: 4-[(1,3-dimethyl-2-pyridin-1-iumyl)azo]aniline; methyl sulfate IUPAC Name: 4-[(1,3-dimethylpyridin-1-ium-2-yl)diazenyl]aniline; methyl sulfate Traditional Name: [4-(1,3-dimethylpyridin-1-ium-2-yl)azophenyl]amine; methyl sulfate Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)C)N=NC2=CC=C(C=C2)N.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C([N+](=CC=C1)C)N=NC2=CC=C(C=C2)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H14N4.CH4O4S/c1-10-4-3-9-17(2)13(10)16-15-12-7-5-11(14)6-8-12;1-5-6(2,3)4/h3-9,14H,1-2H3;1H3,(H,2,3,4)