2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H20N4O3/c1-20-8-10-21(11-9-20)16-4-2-15(3-5-16)19-13-14-12-17(22(24)25)6-7-18(14)23/h2-7,12-13,23H,8-11H2,1H3