9-methylphenanthro[9,10-b]quinoxalin-9-ium; methyl sulfate

Systemtic Name: 9-methylphenanthro[9,10-b]quinoxalin-9-ium; methyl sulfate Openeye Name: 9-methylphenanthro[9,10-b]quinoxalin-9-ium; methyl sulfate CAS Name: 9-methylphenanthro[9,10-b]quinoxalin-9-ium; methyl sulfate IUPAC Name: 9-methylphenanthro[9,10-b]quinoxalin-9-ium; methyl sulfate Traditional Name: 9-methylphenanthro[9,10-b]quinoxalin-9-ium; methyl sulfate Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C3=CC=CC=C3C4=CC=CC=C4C2=NC5=CC=CC=C51.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C3=CC=CC=C3C4=CC=CC=C4C2=NC5=CC=CC=C51.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H15N2.CH4O4S/c1-23-19-13-7-6-12-18(19)22-20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)21(20)23;1-5-6(2,3)4/h2-13H,1H3;1H3,(H,2,3,4)/q+1;/p-1