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

Systemtic Name: 2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-keto-butyl]isoindoline-1,3-quinone Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H23N3O4/c22-13-12-19-8-10-20(11-9-19)16(23)6-3-7-21-17(24)14-4-1-2-5-15(14)18(21)25/h1-2,4-5,22H,3,6-13H2/p+1