5-bromanyl-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 5-bromanyl-2-methyl-isoquinolin-2-ium iodide Openeye Name: 5-bromo-2-methyl-isoquinolin-2-ium iodide CAS Name: 5-bromo-2-methylisoquinolin-2-ium iodide IUPAC Name: 5-bromo-2-methylisoquinolin-2-ium iodide Traditional Name: 5-bromo-2-methyl-isoquinolin-2-ium iodide Formula: C10H9BrIN MolecularWeight: 349.99363

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(=CC=C2)Br.[I-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(=CC=C2)Br.[I-]

InChI

InChI=1S/C10H9BrN.HI/c1-12-6-5-9-8(7-12)3-2-4-10(9)11;/h2-7H,1H3;1H/q+1;/p-1