4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenyl-aniline; methyl sulfate

Systemtic Name: 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenyl-aniline; methyl sulfate Openeye Name: 4-(1,6-dimethylpyridin-1-ium-2-yl)azo-N-phenyl-aniline; methyl sulfate CAS Name: 4-[(1,6-dimethyl-2-pyridin-1-iumyl)azo]-N-phenylaniline; methyl sulfate IUPAC Name: 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N-phenylaniline; methyl sulfate Traditional Name: [4-(1,6-dimethylpyridin-1-ium-2-yl)azophenyl]-phenyl-amine; methyl sulfate Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC=C1)N=NC2=CC=C(C=C2)NC3=CC=CC=C3)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C(=CC=C1)N=NC2=CC=C(C=C2)NC3=CC=CC=C3)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H18N4.CH4O4S/c1-15-7-6-10-19(23(15)2)22-21-18-13-11-17(12-14-18)20-16-8-4-3-5-9-16;1-5-6(2,3)4/h3-14H,1-2H3;1H3,(H,2,3,4)