4-(pyridin-1-ium-1-ylmethyl)benzene-1,2-diol chloride

Systemtic Name: 4-(pyridin-1-ium-1-ylmethyl)benzene-1,2-diol chloride Openeye Name: 4-(pyridin-1-ium-1-ylmethyl)benzene-1,2-diol chloride CAS Name: 4-(1-pyridin-1-iumylmethyl)benzene-1,2-diol chloride IUPAC Name: 4-(pyridin-1-ium-1-ylmethyl)benzene-1,2-diol chloride Traditional Name: 4-(pyridin-1-ium-1-ylmethyl)pyrocatechol chloride Formula: C12H12ClNO2 MolecularWeight: 237.68218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC(=C(C=C2)O)O.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC(=C(C=C2)O)O.[Cl-]

InChI

InChI=1S/C12H11NO2.ClH/c14-11-5-4-10(8-12(11)15)9-13-6-2-1-3-7-13;/h1-8H,9H2,(H-,14,15);1H