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

Systemtic Name: (2S)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)propanoate CAS Name: (2S)-2-(4-benzoyl-1-piperazin-1-iumyl)propanoate IUPAC Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)propanoate Traditional Name: (2S)-2-(4-benzoylpiperazin-1-ium-1-yl)propionate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-11(14(18)19)15-7-9-16(10-8-15)13(17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,18,19)/t11-/m0/s1