2-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: 2-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]ethanoate Openeye Name: 2-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]acetate IUPAC Name: 2-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]acetate Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C13H18N2O2/c1-14-7-8-15(10-13(16)17)12(9-14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17)/p+1/t12-/m1/s1