5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride

Systemtic Name: 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Openeye Name: 5-[[4-(hydroxymethyl)-1-piperidyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride CAS Name: 5-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride IUPAC Name: 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Traditional Name: 5-[(4-methylolpiperidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrochloride Formula: C15H19ClN4O5 MolecularWeight: 370.78816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCC1CO)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H18N4O5.ClH/c20-8-9-1-3-18(4-2-9)7-10-5-11(19(23)24)6-12-13(10)17-15(22)14(21)16-12;/h5-6,9,20H,1-4,7-8H2,(H,16,21)(H,17,22);1H