(2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propionate Formula: C13H17ClN2O2 MolecularWeight: 268.73928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)C2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H17ClN2O2/c1-10(13(17)18)15-6-8-16(9-7-15)12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3,(H,17,18)/t10-/m0/s1