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

Systemtic Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-oxolanyl]methyl]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-[[(2R)-oxolan-2-yl]methyl]isoindole-1,3-dione Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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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=CC=C5

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H27N3O3/c28-23-20-9-4-10-21(22(20)24(29)27(23)17-19-8-5-15-30-19)26-13-11-25(12-14-26)16-18-6-2-1-3-7-18/h1-4,6-7,9-10,19H,5,8,11-17H2/p+1/t19-/m1/s1