methanesulfonate; 1-methyl-5-nitro-quinolin-1-ium

Systemtic Name: methanesulfonate; 1-methyl-5-nitro-quinolin-1-ium Openeye Name: methanesulfonate; 1-methyl-5-nitro-quinolin-1-ium CAS Name: methanesulfonate; 1-methyl-5-nitroquinolin-1-ium IUPAC Name: methanesulfonate; 1-methyl-5-nitroquinolin-1-ium Traditional Name: 1-methyl-5-nitro-quinolin-1-ium mesylate Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC=C2[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC=C2[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C10H9N2O2.CH4O3S/c1-11-7-3-4-8-9(11)5-2-6-10(8)12(13)14;1-5(2,3)4/h2-7H,1H3;1H3,(H,2,3,4)/q+1;/p-1