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

Systemtic Name: 2-ethoxy-4-nitro-6-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 2-ethoxy-4-nitro-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 2-ethoxy-4-nitro-6-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-ethoxy-4-nitro-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 2-ethoxy-4-nitro-6-[[4-[4-(2-thenoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C24H24N4O5S/c1-2-33-21-15-20(28(31)32)14-17(23(21)29)16-25-18-5-7-19(8-6-18)26-9-11-27(12-10-26)24(30)22-4-3-13-34-22/h3-8,13-16,29H,2,9-12H2,1H3