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

Systemtic Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[[(2R)-tetrahydrofuran-2-yl]methyl]-4-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-oxolanyl]methyl]-4-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methyl]-4-[4-(2-thenyl)piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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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=CS5

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CS5

InChI

InChI=1S/C22H25N3O3S/c26-21-18-6-1-7-19(20(18)22(27)25(21)14-16-4-2-12-28-16)24-10-8-23(9-11-24)15-17-5-3-13-29-17/h1,3,5-7,13,16H,2,4,8-12,14-15H2/p+1/t16-/m1/s1