2-(3-chlorophenyl)-4-[4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(3-chlorophenyl)-4-[4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-[4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-[4-[(5-methyl-2-furanyl)methyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-4-[4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(3-chlorophenyl)-4-[4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C24H23ClN3O3+ MolecularWeight: 436.91072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H22ClN3O3/c1-16-8-9-19(31-16)15-26-10-12-27(13-11-26)21-7-3-6-20-22(21)24(30)28(23(20)29)18-5-2-4-17(25)14-18/h2-9,14H,10-13,15H2,1H3/p+1