N,N-dimethyl-4-[(1-methylpyridin-1-ium-2-yl)methyldiazenyl]aniline; methyl sulfate

Systemtic Name: N,N-dimethyl-4-[(1-methylpyridin-1-ium-2-yl)methyldiazenyl]aniline; methyl sulfate Openeye Name: N,N-dimethyl-4-[(1-methylpyridin-1-ium-2-yl)methylazo]aniline; methyl sulfate CAS Name: N,N-dimethyl-4-[(1-methyl-2-pyridin-1-iumyl)methylazo]aniline; methyl sulfate IUPAC Name: N,N-dimethyl-4-[(1-methylpyridin-1-ium-2-yl)methyldiazenyl]aniline; methyl sulfate Traditional Name: dimethyl-[4-[(1-methylpyridin-1-ium-2-yl)methylazo]phenyl]amine; methyl sulfate Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CN=NC2=CC=C(C=C2)N(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1CN=NC2=CC=C(C=C2)N(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H19N4.CH4O4S/c1-18(2)14-9-7-13(8-10-14)17-16-12-15-6-4-5-11-19(15)3;1-5-6(2,3)4/h4-11H,12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1