2-(9-bromanylindolo[3,2-b]quinoxalin-6-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(9-bromanylindolo[3,2-b]quinoxalin-6-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(9-bromo-6-indolo[3,2-b]quinoxalinyl)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C21H21BrN5O+ MolecularWeight: 439.32834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42

InChI

InChI=1S/C21H20BrN5O/c1-25-8-10-26(11-9-25)19(28)13-27-18-7-6-14(22)12-15(18)20-21(27)24-17-5-3-2-4-16(17)23-20/h2-7,12H,8-11,13H2,1H3/p+1