2-bromanyl-4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxy-phenolate

Systemtic Name: 2-bromanyl-4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxy-phenolate Openeye Name: 2-bromo-4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxy-phenolate CAS Name: 2-bromo-4-[(E)-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]iminomethyl]-6-methoxyphenolate IUPAC Name: 2-bromo-4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxyphenolate Traditional Name: 2-bromo-4-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxy-phenolate Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35)Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35)Br)[O-]

InChI

InChI=1S/C25H24BrN3O2/c1-31-23-15-17(14-22(26)25(23)30)16-27-29-12-10-28(11-13-29)24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,14-16,24,30H,10-13H2,1H3/b27-16+