1-(4-methylpiperazin-4-ium-1-yl)-2-(3-nitroquinoxalino[2,3-b][1,4]benzoxazin-12-yl)ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(3-nitroquinoxalino[2,3-b][1,4]benzoxazin-12-yl)ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(3-nitroquinoxalino[2,3-b][1,4]benzoxazin-12-yl)ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-(3-nitro-12-quinoxalino[2,3-b][1,4]benzoxazinyl)ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(3-nitroquinoxalino[2,3-b][1,4]benzoxazin-12-yl)ethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(3-nitroquinoxalino[2,3-b][1,4]benzoxazin-12-yl)ethanone Formula: C21H21N6O4+ MolecularWeight: 421.42924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC4=NC5=CC=CC=C5N=C42

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC4=NC5=CC=CC=C5N=C42

InChI

InChI=1S/C21H20N6O4/c1-24-8-10-25(11-9-24)19(28)13-26-17-7-6-14(27(29)30)12-18(17)31-21-20(26)22-15-4-2-3-5-16(15)23-21/h2-7,12H,8-11,13H2,1H3/p+1