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

Systemtic Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate CAS Name: 2-[(E)-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]iminomethyl]benzoate IUPAC Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate Traditional Name: 2-[(E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]benzoate Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC=CC=C5C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2C3=CC=CC=C3C4=CC=CC=C24)/N=C/C5=CC=CC=C5C(=O)[O-]

InChI

InChI=1S/C25H23N3O2/c29-25(30)19-8-2-1-7-18(19)17-26-28-15-13-27(14-16-28)24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,17,24H,13-16H2,(H,29,30)/b26-17+