6-chloranyl-7-nitro-5-(piperidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione sulfate

Systemtic Name: 6-chloranyl-7-nitro-5-(piperidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione sulfate Openeye Name: 6-chloro-7-nitro-5-(1-piperidylmethyl)-1,4-dihydroquinoxaline-2,3-dione sulfate CAS Name: 6-chloro-7-nitro-5-(1-piperidinylmethyl)-1,4-dihydroquinoxaline-2,3-dione sulfate IUPAC Name: 6-chloro-7-nitro-5-(piperidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione sulfate Traditional Name: 6-chloro-7-nitro-5-(piperidinomethyl)-1,4-dihydroquinoxaline-2,3-quinone sulfate Formula: C14H15ClN4O8S-2 MolecularWeight: 434.8089

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C3C(=CC(=C2Cl)[N+](=O)[O-])NC(=O)C(=O)N3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=C3C(=CC(=C2Cl)[N+](=O)[O-])NC(=O)C(=O)N3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H15ClN4O4.H2O4S/c15-11-8(7-18-4-2-1-3-5-18)12-9(6-10(11)19(22)23)16-13(20)14(21)17-12;1-5(2,3)4/h6H,1-5,7H2,(H,16,20)(H,17,21);(H2,1,2,3,4)/p-2