4-methyl-6-(pyridin-1-ium-1-ylmethyldiazenyl)benzene-1,3-diamine; methyl sulfate

Systemtic Name: 4-methyl-6-(pyridin-1-ium-1-ylmethyldiazenyl)benzene-1,3-diamine; methyl sulfate Openeye Name: 4-methyl-6-(pyridin-1-ium-1-ylmethylazo)benzene-1,3-diamine; methyl sulfate CAS Name: 4-methyl-6-(1-pyridin-1-iumylmethylazo)benzene-1,3-diamine; methyl sulfate IUPAC Name: 4-methyl-6-(pyridin-1-ium-1-ylmethyldiazenyl)benzene-1,3-diamine; methyl sulfate Traditional Name: [5-amino-2-methyl-4-(pyridin-1-ium-1-ylmethylazo)phenyl]amine; methyl sulfate Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N)N=NC[N+]2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1N)N)N=NC[N+]2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H16N5.CH4O4S/c1-10-7-13(12(15)8-11(10)14)17-16-9-18-5-3-2-4-6-18;1-5-6(2,3)4/h2-8H,9,14-15H2,1H3;1H3,(H,2,3,4)/q+1;/p-1