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

Systemtic Name: 4-bromanyl-2-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Openeye Name: 4-bromo-2-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 4-bromo-2-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 4-bromo-2-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 4-bromo-2-[[4-[4-(2-furoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)Br)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)Br)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C22H20BrN3O3/c23-17-3-8-20(27)16(14-17)15-24-18-4-6-19(7-5-18)25-9-11-26(12-10-25)22(28)21-2-1-13-29-21/h1-8,13-15,27H,9-12H2