2,3-dimethyl-5-pyridin-1-ium-1-yl-benzene-1,4-diol chloride

Systemtic Name: 2,3-dimethyl-5-pyridin-1-ium-1-yl-benzene-1,4-diol chloride Openeye Name: 2,3-dimethyl-5-pyridin-1-ium-1-yl-benzene-1,4-diol chloride CAS Name: 2,3-dimethyl-5-(1-pyridin-1-iumyl)benzene-1,4-diol chloride IUPAC Name: 2,3-dimethyl-5-pyridin-1-ium-1-ylbenzene-1,4-diol chloride Traditional Name: 2,3-dimethyl-5-pyridin-1-ium-1-yl-hydroquinone chloride Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C)O)[N+]2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CC1=C(C=C(C(=C1C)O)[N+]2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C13H13NO2.ClH/c1-9-10(2)13(16)11(8-12(9)15)14-6-4-3-5-7-14;/h3-8H,1-2H3,(H-,15,16);1H