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

Systemtic Name: 5-bromanyl-2-methyl-8-nitro-isoquinolin-2-ium; methanesulfonate Openeye Name: 5-bromo-2-methyl-8-nitro-isoquinolin-2-ium; methanesulfonate CAS Name: 5-bromo-2-methyl-8-nitroisoquinolin-2-ium; methanesulfonate IUPAC Name: 5-bromo-2-methyl-8-nitroisoquinolin-2-ium; methanesulfonate Traditional Name: 5-bromo-2-methyl-8-nitro-isoquinolin-2-ium mesylate Formula: C11H11BrN2O5S MolecularWeight: 363.18444

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=CC(=C2C=C1)Br)[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=C(C=CC(=C2C=C1)Br)[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C10H8BrN2O2.CH4O3S/c1-12-5-4-7-8(6-12)10(13(14)15)3-2-9(7)11;1-5(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)/q+1;/p-1