4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-diketo-pyrrolidino]benzoate Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H21N3O5/c21-10-9-18-5-7-19(8-6-18)14-11-15(22)20(16(14)23)13-3-1-12(2-4-13)17(24)25/h1-4,14,21H,5-11H2,(H,24,25)