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

Systemtic Name: 3-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethoxy]-4-phenyl-1,2,5-oxadiazole Openeye Name: 3-[2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethoxy]-4-phenyl-1,2,5-oxadiazole CAS Name: 3-[2-[4-(5-nitro-8-quinolinyl)-1-piperazin-1-iumyl]ethoxy]-4-phenyl-1,2,5-oxadiazole IUPAC Name: 3-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethoxy]-4-phenyl-1,2,5-oxadiazole Traditional Name: 3-[2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethoxy]-4-phenyl-furazan Formula: C23H23N6O4+ MolecularWeight: 447.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=NON=C2C3=CC=CC=C3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=NON=C2C3=CC=CC=C3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

InChI

InChI=1S/C23H22N6O4/c30-29(31)19-8-9-20(22-18(19)7-4-10-24-22)28-13-11-27(12-14-28)15-16-32-23-21(25-33-26-23)17-5-2-1-3-6-17/h1-10H,11-16H2/p+1