2-nitro-6-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]phenolate

Systemtic Name: 2-nitro-6-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]phenolate Openeye Name: 2-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-nitro-6-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C24H24N4O3/c29-24-20(7-4-8-23(24)28(30)31)17-25-21-9-11-22(12-10-21)27-15-13-26(14-16-27)18-19-5-2-1-3-6-19/h1-12,17,29H,13-16,18H2