(2S)-2-[4-(2-phenylethanoyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: (2S)-2-[4-(2-phenylethanoyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-(1-oxo-2-phenylethyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]propionate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3/c1-12(15(19)20)16-7-9-17(10-8-16)14(18)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,19,20)/t12-/m0/s1