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

Systemtic Name: 2-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methyl-carbonimidoyl]phenolate Openeye Name: 2-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methyl-carbonimidoyl]phenolate CAS Name: 2-[(1E)-1-[[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]imino]ethyl]phenolate IUPAC Name: 2-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methylcarbonimidoyl]phenolate Traditional Name: 2-[(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methyl-carbonimidoyl]phenolate Formula: C25H25N3O MolecularWeight: 383.4855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O/c1-18(19-8-6-7-13-24(19)29)26-28-16-14-27(15-17-28)25-22-11-4-2-9-20(22)21-10-3-5-12-23(21)25/h2-13,25,29H,14-17H2,1H3/b26-18+