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

Systemtic Name: 2-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(3-fluorophenyl)methyl]-4-(4-isobutylpiperazin-4-ium-1-yl)isoindoline-1,3-dione CAS Name: 2-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(3-fluorophenyl)methyl]-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(3-fluorobenzyl)-4-(4-isobutylpiperazin-4-ium-1-yl)isoindoline-1,3-quinone Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC(=CC=C4)F

Isomeric SMILES

CC(C)C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN3O2/c1-16(2)14-25-9-11-26(12-10-25)20-8-4-7-19-21(20)23(29)27(22(19)28)15-17-5-3-6-18(24)13-17/h3-8,13,16H,9-12,14-15H2,1-2H3/p+1