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

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

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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)[O-]

Isomeric SMILES

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

InChI

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