4-[(E)-C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]carbonimidoyl]phenolate

Systemtic Name: 4-[(E)-C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]carbonimidoyl]phenolate Openeye Name: 4-[(E)-C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]carbonimidoyl]phenolate CAS Name: 4-[(1E)-1-[[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]imino]propyl]phenolate IUPAC Name: 4-[(E)-C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]carbonimidoyl]phenolate Traditional Name: 4-[(E)-C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]carbonimidoyl]phenolate Formula: C26H27N3O MolecularWeight: 397.51208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NN1CC[NH+](CC1)C2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)[O-]

Isomeric SMILES

CC/C(=N\N1CC[NH+](CC1)C2C3=CC=CC=C3C4=CC=CC=C24)/C5=CC=C(C=C5)[O-]

InChI

InChI=1S/C26H27N3O/c1-2-25(19-11-13-20(30)14-12-19)27-29-17-15-28(16-18-29)26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,26,30H,2,15-18H2,1H3/b27-25+