2-[[4-[(1,4-dimethylpyridin-1-ium-2-yl)diazenyl]phenyl]amino]ethanol; methyl sulfate

Systemtic Name: 2-[[4-[(1,4-dimethylpyridin-1-ium-2-yl)diazenyl]phenyl]amino]ethanol; methyl sulfate Openeye Name: 2-[4-(1,4-dimethylpyridin-1-ium-2-yl)azoanilino]ethanol; methyl sulfate CAS Name: 2-[4-[(1,4-dimethyl-2-pyridin-1-iumyl)azo]anilino]ethanol; methyl sulfate IUPAC Name: 2-[4-[(1,4-dimethylpyridin-1-ium-2-yl)diazenyl]anilino]ethanol; methyl sulfate Traditional Name: 2-[4-(1,4-dimethylpyridin-1-ium-2-yl)azoanilino]ethanol; methyl sulfate Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O.CH4O4S/c1-12-7-9-19(2)15(11-12)18-17-14-5-3-13(4-6-14)16-8-10-20;1-5-6(2,3)4/h3-7,9,11,20H,8,10H2,1-2H3;1H3,(H,2,3,4)