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

Systemtic Name: 2-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-keto-propyl]isoindoline-1,3-quinone Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H21N3O4/c21-12-11-18-7-9-19(10-8-18)15(22)5-6-20-16(23)13-3-1-2-4-14(13)17(20)24/h1-4,21H,5-12H2/p+1