2-[2-hydroxyethyl-[4-(pyridin-1-ium-1-ylmethyldiazenyl)phenyl]amino]ethanol; methyl sulfate

Systemtic Name: 2-[2-hydroxyethyl-[4-(pyridin-1-ium-1-ylmethyldiazenyl)phenyl]amino]ethanol; methyl sulfate Openeye Name: 2-[N-(2-hydroxyethyl)-4-(pyridin-1-ium-1-ylmethylazo)anilino]ethanol; methyl sulfate CAS Name: 2-[N-(2-hydroxyethyl)-4-(1-pyridin-1-iumylmethylazo)anilino]ethanol; methyl sulfate IUPAC Name: 2-[N-(2-hydroxyethyl)-4-(pyridin-1-ium-1-ylmethyldiazenyl)anilino]ethanol; methyl sulfate Traditional Name: 2-[N-(2-hydroxyethyl)-4-(pyridin-1-ium-1-ylmethylazo)anilino]ethanol; methyl sulfate Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N4O2.CH4O4S/c21-12-10-20(11-13-22)16-6-4-15(5-7-16)18-17-14-19-8-2-1-3-9-19;1-5-6(2,3)4/h1-9,21-22H,10-14H2;1H3,(H,2,3,4)/q+1;/p-1