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

Systemtic Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxy-phenolate Openeye Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxy-phenolate CAS Name: 2-[(E)-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]iminomethyl]-6-methoxyphenolate IUPAC Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxyphenolate Traditional Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-methoxy-phenolate Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2/c1-30-23-12-6-7-18(25(23)29)17-26-28-15-13-27(14-16-28)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h2-12,17,24,29H,13-16H2,1H3/b26-17+