(2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-(4-ethyl-1-piperazin-1-iumyl)-2-phenylacetate IUPAC Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-phenyl-acetate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-2-15-8-10-16(11-9-15)13(14(17)18)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)/t13-/m0/s1