2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C27H24N3O3+ MolecularWeight: 438.49776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CN(CC[NH+]1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H23N3O3/c31-24(17-30-26(32)22-11-5-6-12-23(22)27(30)33)28-13-15-29(16-14-28)25-20-9-3-1-7-18(20)19-8-2-4-10-21(19)25/h1-12,25H,13-17H2/p+1