2-[(2R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-benzyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-benzyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)[C@@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O4/c27-15-14-24-10-12-25(13-11-24)23(30)20(16-17-6-2-1-3-7-17)26-21(28)18-8-4-5-9-19(18)22(26)29/h1-9,20,27H,10-16H2/p+1/t20-/m1/s1