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

Systemtic Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-2-21-9-11-22(12-10-21)17-5-3-16(4-6-17)20-14-15-13-18(23(25)26)7-8-19(15)24/h3-8,13-14,24H,2,9-12H2,1H3