3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propanoate

Systemtic Name: 3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propanoate Openeye Name: 3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propanoate CAS Name: 3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propanoate IUPAC Name: 3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propanoate Traditional Name: 3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propionate Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-15-9-10-16(8-7-14(17)18)13(11-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,18)/p+1/t13-/m1/s1