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

Systemtic Name: 3-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 3-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 3-[3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 3-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 3-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propoxy]benzoate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])CCO

InChI

InChI=1S/C16H24N2O4/c19-11-10-18-8-6-17(7-9-18)5-2-12-22-15-4-1-3-14(13-15)16(20)21/h1,3-4,13,19H,2,5-12H2,(H,20,21)