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

Systemtic Name: 4-chloranyl-2-nitro-6-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[[4-[4-(2-thenoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H19ClN4O4S/c23-16-12-15(21(28)19(13-16)27(30)31)14-24-17-3-5-18(6-4-17)25-7-9-26(10-8-25)22(29)20-2-1-11-32-20/h1-6,11-14,28H,7-10H2