(2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2S)-2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-2-phenylacetate IUPAC Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-phenyl-acetate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c17-11-10-15-6-8-16(9-7-15)13(14(18)19)12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H,18,19)/t13-/m0/s1