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

Systemtic Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]-4-phenyl-1,2,5-oxadiazole Openeye Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]-4-phenyl-1,2,5-oxadiazole CAS Name: 3-[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethoxy]-4-phenyl-1,2,5-oxadiazole IUPAC Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]-4-phenyl-1,2,5-oxadiazole Traditional Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]-4-phenyl-furazan Formula: C20H22N5O4+ MolecularWeight: 396.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c26-25(27)18-8-6-17(7-9-18)24-12-10-23(11-13-24)14-15-28-20-19(21-29-22-20)16-4-2-1-3-5-16/h1-9H,10-15H2/p+1