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

Systemtic Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]benzoate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C(=O)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C(=O)[O-])CCO

InChI

InChI=1S/C14H20N2O3/c17-9-8-15-4-6-16(7-5-15)11-12-2-1-3-13(10-12)14(18)19/h1-3,10,17H,4-9,11H2,(H,18,19)