4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzoate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c17-10-9-15-5-7-16(8-6-15)13(18)11-1-3-12(4-2-11)14(19)20/h1-4,17H,5-10H2,(H,19,20)