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

Systemtic Name: 2-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 2-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 2-[3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 2-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 2-[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=C2C(=O)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2C(=O)[O-])CCO

InChI

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