2-isoquinolin-2-ium-2-ylbenzene-1,4-diol chloride

Systemtic Name: 2-isoquinolin-2-ium-2-ylbenzene-1,4-diol chloride Openeye Name: 2-isoquinolin-2-ium-2-ylbenzene-1,4-diol chloride CAS Name: 2-(2-isoquinolin-2-iumyl)benzene-1,4-diol chloride IUPAC Name: 2-isoquinolin-2-ium-2-ylbenzene-1,4-diol chloride Traditional Name: 2-isoquinolin-2-ium-2-ylhydroquinone chloride Formula: C15H12ClNO2 MolecularWeight: 273.71428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=CC(=C3)O)O.[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=CC(=C3)O)O.[Cl-]

InChI

InChI=1S/C15H11NO2.ClH/c17-13-5-6-15(18)14(9-13)16-8-7-11-3-1-2-4-12(11)10-16;/h1-10H,(H-,17,18);1H