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

Systemtic Name: 2-bromanyl-6-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-methyl-phenolate Openeye Name: 2-bromo-6-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-methyl-phenolate CAS Name: 2-bromo-6-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]-4-methylphenolate IUPAC Name: 2-bromo-6-[[4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-methylphenolate Traditional Name: 2-bromo-6-[[4-[4-(2-furoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]-4-methyl-phenolate Formula: C23H22BrN3O3 MolecularWeight: 468.34308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)[O-])Br

InChI

InChI=1S/C23H22BrN3O3/c1-16-13-17(22(28)20(24)14-16)15-25-18-4-6-19(7-5-18)26-8-10-27(11-9-26)23(29)21-3-2-12-30-21/h2-7,12-15,28H,8-11H2,1H3