6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride

Systemtic Name: 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride Openeye Name: 6-[[3-(hydroxymethyl)-1-piperidyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride CAS Name: 6-[[3-(hydroxymethyl)-1-piperidinyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride IUPAC Name: 6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride Traditional Name: 6-[(3-methylolpiperidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone chloride Formula: C15H18ClN4O5- MolecularWeight: 369.78022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3)CO.[Cl-]

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3)CO.[Cl-]

InChI

InChI=1S/C15H18N4O5.ClH/c20-8-9-2-1-3-18(6-9)7-10-4-11-12(5-13(10)19(23)24)17-15(22)14(21)16-11;/h4-5,9,20H,1-3,6-8H2,(H,16,21)(H,17,22);1H/p-1