1-methyl-6-nitro-quinolin-1-ium; methyl sulfate

Systemtic Name: 1-methyl-6-nitro-quinolin-1-ium; methyl sulfate Openeye Name: 1-methyl-6-nitro-quinolin-1-ium; methyl sulfate CAS Name: 1-methyl-6-nitroquinolin-1-ium; methyl sulfate IUPAC Name: 1-methyl-6-nitroquinolin-1-ium; methyl sulfate Traditional Name: 1-methyl-6-nitro-quinolin-1-ium; methyl sulfate Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N2O2.CH4O4S/c1-11-6-2-3-8-7-9(12(13)14)4-5-10(8)11;1-5-6(2,3)4/h2-7H,1H3;1H3,(H,2,3,4)/q+1;/p-1