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

Systemtic Name: 2-bromanyl-4-(phenylmethyl)-6-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 4-benzyl-2-bromo-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 2-bromo-6-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-bromo-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 4-benzyl-2-bromo-6-[[4-[4-(2-thenoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C29H26BrN3O2S MolecularWeight: 560.50464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)CC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)CC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H26BrN3O2S/c30-26-19-22(17-21-5-2-1-3-6-21)18-23(28(26)34)20-31-24-8-10-25(11-9-24)32-12-14-33(15-13-32)29(35)27-7-4-16-36-27/h1-11,16,18-20,34H,12-15,17H2