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

Systemtic Name: 2-[(2-chlorophenyl)methyl]-4-[4-(furan-3-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(2-chlorophenyl)methyl]-4-[4-(3-furylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(2-chlorophenyl)methyl]-4-[4-(3-furanylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(2-chlorophenyl)methyl]-4-[4-(furan-3-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(2-chlorobenzyl)-4-[4-(3-furfuryl)piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C24H23ClN3O3+ MolecularWeight: 436.91072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H22ClN3O3/c25-20-6-2-1-4-18(20)15-28-23(29)19-5-3-7-21(22(19)24(28)30)27-11-9-26(10-12-27)14-17-8-13-31-16-17/h1-8,13,16H,9-12,14-15H2/p+1