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

Systemtic Name: 4-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine Openeye Name: 4-[2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine CAS Name: 4-[2-[4-(5-nitro-8-quinolinyl)-1-piperazin-1-iumyl]ethoxy]-1,2,5-oxadiazol-3-amine IUPAC Name: 4-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine Traditional Name: [4-[2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethoxy]furazan-3-yl]amine Formula: C17H20N7O4+ MolecularWeight: 386.3852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=NON=C2N)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=NON=C2N)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C17H19N7O4/c18-16-17(21-28-20-16)27-11-10-22-6-8-23(9-7-22)14-4-3-13(24(25)26)12-2-1-5-19-15(12)14/h1-5H,6-11H2,(H2,18,20)/p+1