3,4-bis(bromanyl)-6-ethoxy-2-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate

Systemtic Name: 3,4-bis(bromanyl)-6-ethoxy-2-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 3,4-dibromo-6-ethoxy-2-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 3,4-dibromo-6-ethoxy-2-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 3,4-dibromo-6-ethoxy-2-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 3,4-dibromo-6-ethoxy-2-[[4-[4-(2-thenoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C24H23Br2N3O3S MolecularWeight: 593.33072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23Br2N3O3S/c1-2-32-20-14-19(25)22(26)18(23(20)30)15-27-16-5-7-17(8-6-16)28-9-11-29(12-10-28)24(31)21-4-3-13-33-21/h3-8,13-15,30H,2,9-12H2,1H3