methyl (2S)-4-(phenylcarbonyl)piperazin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-4-(phenylcarbonyl)piperazin-1-ium-2-carboxylate Openeye Name: methyl (2S)-4-benzoylpiperazin-1-ium-2-carboxylate CAS Name: (2S)-4-benzoyl-2-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-benzoylpiperazin-1-ium-2-carboxylate Traditional Name: (2S)-4-benzoylpiperazin-1-ium-2-carboxylic acid methyl ester Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O3/c1-18-13(17)11-9-15(8-7-14-11)12(16)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3/p+1/t11-/m0/s1