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

Systemtic Name: 4-bromanyl-2-ethoxy-6-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 4-bromo-2-ethoxy-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 4-bromo-2-ethoxy-6-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 4-bromo-2-ethoxy-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 4-bromo-2-ethoxy-6-[[4-[4-(2-thenoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O3S/c1-2-31-21-15-18(25)14-17(23(21)29)16-26-19-5-7-20(8-6-19)27-9-11-28(12-10-27)24(30)22-4-3-13-32-22/h3-8,13-16,29H,2,9-12H2,1H3