(2R)-2-(4-phenylpiperazin-1-ium-1-yl)butanoate

Systemtic Name: (2R)-2-(4-phenylpiperazin-1-ium-1-yl)butanoate Openeye Name: (2R)-2-(4-phenylpiperazin-1-ium-1-yl)butanoate CAS Name: (2R)-2-(4-phenyl-1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-2-(4-phenylpiperazin-1-ium-1-yl)butanoate Traditional Name: (2R)-2-(4-phenylpiperazin-1-ium-1-yl)butyrate Formula: C14H20N2O2 MolecularWeight: 248.3208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-2-13(14(17)18)16-10-8-15(9-11-16)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)/t13-/m1/s1