1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione

Systemtic Name: 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione CAS Name: 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Traditional Name: 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-pyrroline-2,5-quinone Formula: C16H19FN3O3+ MolecularWeight: 320.338763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=O)N(C2=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=O)N(C2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN3O3/c17-12-1-3-13(4-2-12)20-15(22)11-14(16(20)23)19-7-5-18(6-8-19)9-10-21/h1-4,11,21H,5-10H2/p+1