methyl (2S)-1-phenylpiperazin-4-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-phenylpiperazin-4-ium-2-carboxylate Openeye Name: methyl (2S)-1-phenylpiperazin-4-ium-2-carboxylate CAS Name: (2S)-1-phenyl-2-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-phenylpiperazin-4-ium-2-carboxylate Traditional Name: (2S)-1-phenylpiperazin-4-ium-2-carboxylic acid methyl ester Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH2+]CCN1C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[NH2+]CCN1C2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2/c1-16-12(15)11-9-13-7-8-14(11)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3/p+1/t11-/m0/s1