5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one Openeye Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one CAS Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[1-[2-(1-piperazine-1,4-diiumyl)ethylamino]ethylidene]-3-pyrazolone IUPAC Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one Traditional Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]-2-pyrazolin-3-one Formula: C24H30N6O4+2 MolecularWeight: 466.5328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)NCC[NH+]4CC[NH2+]CC4

Isomeric SMILES

CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)NCC[NH+]4CC[NH2+]CC4

InChI

InChI=1S/C24H28N6O4/c1-17(26-13-16-28-14-11-25-12-15-28)22-23(18-3-9-21(34-2)10-4-18)27-29(24(22)31)19-5-7-20(8-6-19)30(32)33/h3-10,25-26H,11-16H2,1-2H3/p+2