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

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[1-[2-(1-piperazine-1,4-diiumyl)ethylamino]ethylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethylidene]-2-pyrazolin-3-one Formula: C18H26N6O3+2 MolecularWeight: 374.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC[NH+]2CC[NH2+]CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCC[NH+]2CC[NH2+]CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-13(20-9-12-22-10-7-19-8-11-22)17-14(2)21-23(18(17)25)15-3-5-16(6-4-15)24(26)27/h3-6,19-20H,7-12H2,1-2H3/p+2