2-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-oxo-hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-6-oxohexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-oxohexyl]isoindole-1,3-dione Traditional Name: 2-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-keto-hexyl]isoindoline-1,3-quinone Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H27N3O4/c24-15-14-21-10-12-22(13-11-21)18(25)8-2-1-5-9-23-19(26)16-6-3-4-7-17(16)20(23)27/h3-4,6-7,24H,1-2,5,8-15H2/p+1