(2S)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-(4-methyl-1-piperazin-1-iumyl)-2-phenylacetate IUPAC Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-acetate Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12(13(16)17)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17)/t12-/m0/s1