5-bromanyl-8-nitro-isoquinolin-2-ium; methanesulfonate

Systemtic Name: 5-bromanyl-8-nitro-isoquinolin-2-ium; methanesulfonate Openeye Name: 5-bromo-8-nitro-isoquinolin-2-ium; methanesulfonate CAS Name: 5-bromo-8-nitroisoquinolin-2-ium; methanesulfonate IUPAC Name: 5-bromo-8-nitroisoquinolin-2-ium; methanesulfonate Traditional Name: 5-bromo-8-nitro-isoquinolin-2-ium mesylate Formula: C10H9BrN2O5S MolecularWeight: 349.15786

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=C2C=C[NH+]=CC2=C1[N+](=O)[O-])Br

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=C2C=C[NH+]=CC2=C1[N+](=O)[O-])Br

InChI

InChI=1S/C9H5BrN2O2.CH4O3S/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8;1-5(2,3)4/h1-5H;1H3,(H,2,3,4)