4-bromanyl-7-methyl-acenaphthyleno[1,2-b]quinoxalin-7-ium; methyl sulfate

Systemtic Name: 4-bromanyl-7-methyl-acenaphthyleno[1,2-b]quinoxalin-7-ium; methyl sulfate Openeye Name: 4-bromo-7-methyl-acenaphthyleno[1,2-b]quinoxalin-7-ium; methyl sulfate CAS Name: 4-bromo-7-methylacenaphthyleno[1,2-b]quinoxalin-7-ium; methyl sulfate IUPAC Name: 4-bromo-7-methylacenaphthyleno[1,2-b]quinoxalin-7-ium; methyl sulfate Traditional Name: 4-bromo-7-methyl-acenaphtho[1,2-b]quinoxalin-7-ium; methyl sulfate Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C3=C4C(=C(C=C3)Br)C=CC=C4C2=NC5=CC=CC=C51.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C3=C4C(=C(C=C3)Br)C=CC=C4C2=NC5=CC=CC=C51.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H12BrN2.CH4O4S/c1-22-16-8-3-2-7-15(16)21-18-12-6-4-5-11-14(20)10-9-13(17(11)12)19(18)22;1-5-6(2,3)4/h2-10H,1H3;1H3,(H,2,3,4)/q+1;/p-1