2,3-dimethyl-5-nitro-isoquinolin-2-ium iodide

Systemtic Name: 2,3-dimethyl-5-nitro-isoquinolin-2-ium iodide Openeye Name: 2,3-dimethyl-5-nitro-isoquinolin-2-ium iodide CAS Name: 2,3-dimethyl-5-nitroisoquinolin-2-ium iodide IUPAC Name: 2,3-dimethyl-5-nitroisoquinolin-2-ium iodide Traditional Name: 2,3-dimethyl-5-nitro-isoquinolin-2-ium iodide Formula: C11H11IN2O2 MolecularWeight: 330.12171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C2C=CC=C(C2=C1)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CC1=[N+](C=C2C=CC=C(C2=C1)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C11H11N2O2.HI/c1-8-6-10-9(7-12(8)2)4-3-5-11(10)13(14)15;/h3-7H,1-2H3;1H/q+1;/p-1