4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione Openeye Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(3-fluorophenyl)methyl]isoindoline-1,3-dione CAS Name: 4-(4-cyclopentyl-1-piperazin-4-iumyl)-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione Traditional Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-2-(3-fluorobenzyl)isoindoline-1,3-quinone Formula: C24H27FN3O2+ MolecularWeight: 408.488483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC(=CC=C5)F

InChI

InChI=1S/C24H26FN3O2/c25-18-6-3-5-17(15-18)16-28-23(29)20-9-4-10-21(22(20)24(28)30)27-13-11-26(12-14-27)19-7-1-2-8-19/h3-6,9-10,15,19H,1-2,7-8,11-14,16H2/p+1