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

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylidene]pyrazol-3-one Openeye Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylene]pyrazol-3-one CAS Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[[2-(1-piperazine-1,4-diiumyl)ethylamino]methylidene]-3-pyrazolone IUPAC Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylidene]pyrazol-3-one Traditional Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(2-piperazine-1,4-diium-1-ylethylamino)methylene]-2-pyrazolin-3-one Formula: C23H28N6O4+2 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC[NH+]3CC[NH2+]CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC[NH+]3CC[NH2+]CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O4/c1-33-20-8-2-17(3-9-20)22-21(16-25-12-15-27-13-10-24-11-14-27)23(30)28(26-22)18-4-6-19(7-5-18)29(31)32/h2-9,16,24-25H,10-15H2,1H3/p+2