2-bromanyl-8-methoxy-5-methyl-phenazin-5-ium; methyl sulfate

Systemtic Name: 2-bromanyl-8-methoxy-5-methyl-phenazin-5-ium; methyl sulfate Openeye Name: 2-bromo-8-methoxy-5-methyl-phenazin-5-ium; methyl sulfate CAS Name: 2-bromo-8-methoxy-5-methylphenazin-5-ium; methyl sulfate IUPAC Name: 2-bromo-8-methoxy-5-methylphenazin-5-ium; methyl sulfate Traditional Name: 2-bromo-8-methoxy-5-methyl-phenazin-5-ium; methyl sulfate Formula: C15H15BrN2O5S MolecularWeight: 415.259

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=NC3=C1C=CC(=C3)OC)Br.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=NC3=C1C=CC(=C3)OC)Br.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H12BrN2O.CH4O4S/c1-17-13-5-3-9(15)7-11(13)16-12-8-10(18-2)4-6-14(12)17;1-5-6(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1