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

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-(benzothiophen-2-ylmethyl)-4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(benzothiophen-2-ylmethyl)-4-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C28H25FN3O2S+ MolecularWeight: 486.580403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C28H24FN3O2S/c29-21-7-3-5-19(15-21)17-30-11-13-31(14-12-30)24-9-4-8-23-26(24)28(34)32(27(23)33)18-22-16-20-6-1-2-10-25(20)35-22/h1-10,15-16H,11-14,17-18H2/p+1