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

Systemtic Name: 2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4O

InChI

InChI=1S/C20H21N3O3/c24-18-8-4-3-7-17(18)22-12-9-21(10-13-22)11-14-23-19(25)15-5-1-2-6-16(15)20(23)26/h1-8,24H,9-14H2/p+1