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

Systemtic Name: 4-bromanyl-2-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-6-methoxy-phenolate Openeye Name: 4-bromo-2-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-6-methoxy-phenolate CAS Name: 4-bromo-2-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]-6-methoxyphenolate IUPAC Name: 4-bromo-2-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-6-methoxyphenolate Traditional Name: 4-bromo-2-[[4-[4-(2-furoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-6-methoxy-phenolate Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)[O-]

InChI

InChI=1S/C23H22BrN3O4/c1-30-21-14-17(24)13-16(22(21)28)15-25-18-4-6-19(7-5-18)26-8-10-27(11-9-26)23(29)20-3-2-12-31-20/h2-7,12-15,28H,8-11H2,1H3