4-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methyl-carbonimidoyl]-2-methoxy-phenolate

Systemtic Name: 4-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methyl-carbonimidoyl]-2-methoxy-phenolate Openeye Name: 4-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methyl-carbonimidoyl]-2-methoxy-phenolate CAS Name: 4-[(1E)-1-[[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]imino]ethyl]-2-methoxyphenolate IUPAC Name: 4-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methylcarbonimidoyl]-2-methoxyphenolate Traditional Name: 4-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methyl-carbonimidoyl]-2-methoxy-phenolate Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c1-18(19-11-12-24(30)25(17-19)31-2)27-29-15-13-28(14-16-29)26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-12,17,26,30H,13-16H2,1-2H3/b27-18+