3-methyl-4-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazole

Systemtic Name: 3-methyl-4-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazole Openeye Name: 3-methyl-4-[2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazole CAS Name: 3-methyl-4-[2-[4-(5-nitro-8-quinolinyl)-1-piperazin-1-iumyl]ethoxy]-1,2,5-oxadiazole IUPAC Name: 3-methyl-4-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazole Traditional Name: 3-methyl-4-[2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethoxy]furazan Formula: C18H21N6O4+ MolecularWeight: 385.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NON=C1OCC[NH+]2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

CC1=NON=C1OCC[NH+]2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C18H20N6O4/c1-13-18(21-28-20-13)27-12-11-22-7-9-23(10-8-22)16-5-4-15(24(25)26)14-3-2-6-19-17(14)16/h2-6H,7-12H2,1H3/p+1