3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 3-[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(=CC=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

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