3-oxidanylidene-3-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]propanoate

Systemtic Name: 3-oxidanylidene-3-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]propanoate Openeye Name: 3-oxo-3-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]propanoate CAS Name: 3-oxo-3-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]propanoate IUPAC Name: 3-oxo-3-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]propanoate Traditional Name: 3-keto-3-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]propionate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)CC(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)CC(=O)[O-]

InChI

InChI=1S/C15H20N2O3/c1-12(13-5-3-2-4-6-13)16-7-9-17(10-8-16)14(18)11-15(19)20/h2-6,12H,7-11H2,1H3,(H,19,20)/t12-/m1/s1