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

Systemtic Name: 2-nitro-6-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 2-nitro-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 2-nitro-6-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-nitro-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 2-nitro-6-[[4-[4-(2-thenoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O4S/c27-21-16(3-1-4-19(21)26(29)30)15-23-17-6-8-18(9-7-17)24-10-12-25(13-11-24)22(28)20-5-2-14-31-20/h1-9,14-15,27H,10-13H2