5-[(1-methylpiperazin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide

Systemtic Name: 5-[(1-methylpiperazin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide Openeye Name: 5-[(1-methylpiperazin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide CAS Name: 5-[(1-methyl-1-piperazin-1-iumyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide IUPAC Name: 5-[(1-methylpiperazin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide Traditional Name: 5-[(1-methylpiperazin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone dihydrobromide Formula: C14H20Br2N5O4+ MolecularWeight: 482.1477

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br.Br

Isomeric SMILES

C[N+]1(CCNCC1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br.Br

InChI

InChI=1S/C14H17N5O4.2BrH/c1-19(4-2-15-3-5-19)8-9-6-10(18(22)23)7-11-12(9)17-14(21)13(20)16-11;;/h6-7,15H,2-5,8H2,1H3,(H-,16,17,20,21);2*1H/p+1