2-[(E)-imidazolidin-4-ylidenemethyl]-1-(4-nitrophenyl)-4-oxidanidyl-4-phenyl-piperazin-4-ium-2-olate

Systemtic Name: 2-[(E)-imidazolidin-4-ylidenemethyl]-1-(4-nitrophenyl)-4-oxidanidyl-4-phenyl-piperazin-4-ium-2-olate Openeye Name: 2-[(E)-imidazolidin-4-ylidenemethyl]-1-(4-nitrophenyl)-4-oxido-4-phenyl-piperazin-4-ium-2-olate CAS Name: 2-[(E)-4-imidazolidinylidenemethyl]-1-(4-nitrophenyl)-4-oxido-4-phenyl-2-piperazin-4-iumolate IUPAC Name: 2-[(E)-imidazolidin-4-ylidenemethyl]-1-(4-nitrophenyl)-4-oxido-4-phenylpiperazin-4-ium-2-olate Traditional Name: 2-[(E)-imidazolidin-4-ylidenemethyl]-1-(4-nitrophenyl)-4-oxido-4-phenyl-piperazin-4-ium-2-olate Formula: C20H22N5O4- MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC(N1C2=CC=C(C=C2)[N+](=O)[O-])(C=C3CNCN3)[O-])(C4=CC=CC=C4)[O-]

Isomeric SMILES

C1C[N+](CC(N1C2=CC=C(C=C2)[N+](=O)[O-])(/C=C/3\CNCN3)[O-])(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H22N5O4/c26-20(12-16-13-21-15-22-16)14-25(29,19-4-2-1-3-5-19)11-10-23(20)17-6-8-18(9-7-17)24(27)28/h1-9,12,21-22H,10-11,13-15H2/q-1/b16-12+