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

Systemtic Name: 2-bromanyl-8-ethoxy-5-methyl-phenazin-5-ium; methyl sulfate Openeye Name: 2-bromo-8-ethoxy-5-methyl-phenazin-5-ium; methyl sulfate CAS Name: 2-bromo-8-ethoxy-5-methylphenazin-5-ium; methyl sulfate IUPAC Name: 2-bromo-8-ethoxy-5-methylphenazin-5-ium; methyl sulfate Traditional Name: 2-bromo-8-ethoxy-5-methyl-phenazin-5-ium; methyl sulfate Formula: C16H17BrN2O5S MolecularWeight: 429.28558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=C3C=CC(=CC3=N2)Br)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=C3C=CC(=CC3=N2)Br)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H14BrN2O.CH4O4S/c1-3-19-11-5-7-15-13(9-11)17-12-8-10(16)4-6-14(12)18(15)2;1-5-6(2,3)4/h4-9H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1