6-[(4-methylpiperidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide

Systemtic Name: 6-[(4-methylpiperidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 6-[(4-methyl-1-piperidyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 6-[(4-methyl-1-piperidinyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 6-[(4-methylpiperidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 6-[(4-methylpiperidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C15H18BrN4O4- MolecularWeight: 398.23182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

Isomeric SMILES

CC1CCN(CC1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

InChI

InChI=1S/C15H18N4O4.BrH/c1-9-2-4-18(5-3-9)8-10-6-11-12(7-13(10)19(22)23)17-15(21)14(20)16-11;/h6-7,9H,2-5,8H2,1H3,(H,16,20)(H,17,21);1H/p-1