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

Systemtic Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(2-furfuryl)piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C25H26N3O4+ MolecularWeight: 432.49164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CO5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CO5

InChI

InChI=1S/C25H25N3O4/c1-31-19-9-7-18(8-10-19)16-28-24(29)21-5-2-6-22(23(21)25(28)30)27-13-11-26(12-14-27)17-20-4-3-15-32-20/h2-10,15H,11-14,16-17H2,1H3/p+1