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

Systemtic Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-[[(2R)-oxolan-2-yl]methyl]isoindole-1,3-dione Openeye Name: 4-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-dione CAS Name: 4-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-2-[[(2R)-2-oxolanyl]methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-[[(2R)-oxolan-2-yl]methyl]isoindole-1,3-dione Traditional Name: 4-[4-(2-furfuryl)piperazin-4-ium-1-yl]-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-quinone Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CO5

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CO5

InChI

InChI=1S/C22H25N3O4/c26-21-18-6-1-7-19(20(18)22(27)25(21)15-17-5-3-13-29-17)24-10-8-23(9-11-24)14-16-4-2-12-28-16/h1-2,4,6-7,12,17H,3,5,8-11,13-15H2/p+1/t17-/m1/s1