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

Systemtic Name: 3,4-bis(bromanyl)-6-methoxy-2-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 3,4-dibromo-6-methoxy-2-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 3,4-dibromo-6-methoxy-2-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 3,4-dibromo-6-methoxy-2-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 3,4-dibromo-6-methoxy-2-[[4-[4-(2-thenoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C23H21Br2N3O3S MolecularWeight: 579.30414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1[O-])C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)Br)Br

Isomeric SMILES

COC1=CC(=C(C(=C1[O-])C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)Br)Br

InChI

InChI=1S/C23H21Br2N3O3S/c1-31-19-13-18(24)21(25)17(22(19)29)14-26-15-4-6-16(7-5-15)27-8-10-28(11-9-27)23(30)20-3-2-12-32-20/h2-7,12-14,29H,8-11H2,1H3