2-(isoquinolin-2-ium-2-ylmethyl)-4-nitro-phenol chloride

Systemtic Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-nitro-phenol chloride Openeye Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-nitro-phenol chloride CAS Name: 2-(2-isoquinolin-2-iumylmethyl)-4-nitrophenol chloride IUPAC Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-nitrophenol chloride Traditional Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-nitro-phenol chloride Formula: C16H13ClN2O3 MolecularWeight: 316.73902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])O.[Cl-]

InChI

InChI=1S/C16H12N2O3.ClH/c19-16-6-5-15(18(20)21)9-14(16)11-17-8-7-12-3-1-2-4-13(12)10-17;/h1-10H,11H2;1H