(2S)-2-[4-(phenylmethyl)piperazin-1-yl]propanoic acid

Systemtic Name: (2S)-2-[4-(phenylmethyl)piperazin-1-yl]propanoic acid Openeye Name: (2S)-2-(4-benzylpiperazin-1-yl)propanoic acid CAS Name: (2S)-2-[4-(phenylmethyl)-1-piperazinyl]propanoic acid IUPAC Name: (2S)-2-(4-benzylpiperazin-1-yl)propanoic acid Traditional Name: (2S)-2-(4-benzylpiperazino)propionic acid Formula: C14H20N2O2 MolecularWeight: 248.3208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c1-12(14(17)18)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)/t12-/m0/s1