3-[(2S)-2-methylpiperazin-1-yl]benzoic acid

Systemtic Name: 3-[(2S)-2-methylpiperazin-1-yl]benzoic acid Openeye Name: 3-[(2S)-2-methylpiperazin-1-yl]benzoic acid CAS Name: 3-[(2S)-2-methyl-1-piperazinyl]benzoic acid IUPAC Name: 3-[(2S)-2-methylpiperazin-1-yl]benzoic acid Traditional Name: 3-[(2S)-2-methylpiperazino]benzoic acid Formula: C12H16N2O2 MolecularWeight: 220.26764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C[C@H]1CNCCN1C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H16N2O2/c1-9-8-13-5-6-14(9)11-4-2-3-10(7-11)12(15)16/h2-4,7,9,13H,5-6,8H2,1H3,(H,15,16)/t9-/m0/s1