2-oxidanylidene-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanoate

Systemtic Name: 2-oxidanylidene-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanoate Openeye Name: 2-oxo-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]acetate CAS Name: 2-oxo-2-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]acetate IUPAC Name: 2-oxo-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]acetate Traditional Name: 2-keto-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]acetate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-11(12-5-3-2-4-6-12)15-7-9-16(10-8-15)13(17)14(18)19/h2-6,11H,7-10H2,1H3,(H,18,19)/t11-/m1/s1