2-bromanyl-6-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-(phenylmethyl)phenolate

Systemtic Name: 2-bromanyl-6-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-bromo-6-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 2-bromo-6-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-bromo-6-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 4-benzyl-2-bromo-6-[[4-[4-(2-furoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C29H26BrN3O3 MolecularWeight: 544.43904

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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=CO5

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=CO5

InChI

InChI=1S/C29H26BrN3O3/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