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

Systemtic Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N3O4/c20-10-9-17-5-7-18(8-6-17)14(21)11-19-15(22)12-3-1-2-4-13(12)16(19)23/h1-4,20H,5-11H2/p+1