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

Systemtic Name: 4-chloranyl-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3/c1-2-22-7-9-23(10-8-22)17-5-3-16(4-6-17)21-13-14-11-15(20)12-18(19(14)25)24(26)27/h3-6,11-13,25H,2,7-10H2,1H3