2-methyl-5-nitro-isoquinolin-2-ium chloride

Systemtic Name: 2-methyl-5-nitro-isoquinolin-2-ium chloride Openeye Name: 2-methyl-5-nitro-isoquinolin-2-ium chloride CAS Name: 2-methyl-5-nitroisoquinolin-2-ium chloride IUPAC Name: 2-methyl-5-nitroisoquinolin-2-ium chloride Traditional Name: 2-methyl-5-nitro-isoquinolin-2-ium chloride Formula: C10H9ClN2O2 MolecularWeight: 224.64366

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C10H9N2O2.ClH/c1-11-6-5-9-8(7-11)3-2-4-10(9)12(13)14;/h2-7H,1H3;1H/q+1;/p-1