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

Systemtic Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-prop-2-enyl-phenolate Openeye Name: 2-allyl-6-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]phenolate CAS Name: 2-[(E)-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]iminomethyl]-6-prop-2-enylphenolate IUPAC Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]-6-prop-2-enylphenolate Traditional Name: 2-allyl-6-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]phenolate Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=C1[O-])C=NN2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C=CCC1=CC=CC(=C1[O-])/C=N/N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C27H27N3O/c1-2-8-20-9-7-10-21(27(20)31)19-28-30-17-15-29(16-18-30)26-24-13-5-3-11-22(24)23-12-4-6-14-25(23)26/h2-7,9-14,19,26,31H,1,8,15-18H2/b28-19+