4-chloranyl-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3/c1-21-6-8-22(9-7-21)16-4-2-15(3-5-16)20-12-13-10-14(19)11-17(18(13)24)23(25)26/h2-5,10-12,24H,6-9H2,1H3