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

Systemtic Name: 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N,N-dimethyl-aniline; methyl sulfate Openeye Name: 4-(1,6-dimethylpyridin-1-ium-2-yl)azo-N,N-dimethyl-aniline; methyl sulfate CAS Name: 4-[(1,6-dimethyl-2-pyridin-1-iumyl)azo]-N,N-dimethylaniline; methyl sulfate IUPAC Name: 4-[(1,6-dimethylpyridin-1-ium-2-yl)diazenyl]-N,N-dimethylaniline; methyl sulfate Traditional Name: [4-(1,6-dimethylpyridin-1-ium-2-yl)azophenyl]-dimethyl-amine; methyl sulfate Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N4.CH4O4S/c1-12-6-5-7-15(19(12)4)17-16-13-8-10-14(11-9-13)18(2)3;1-5-6(2,3)4/h5-11H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1