3-[[(2R)-2-butylpiperazin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[(2R)-2-butylpiperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[[(2R)-2-butylpiperazin-1-yl]methyl]benzoic acid CAS Name: 3-[[(2R)-2-butyl-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[[(2R)-2-butylpiperazin-1-yl]methyl]benzoic acid Traditional Name: 3-[[(2R)-2-butylpiperazino]methyl]benzoic acid Formula: C16H24N2O2 MolecularWeight: 276.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCCN1CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC[C@@H]1CNCCN1CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H24N2O2/c1-2-3-7-15-11-17-8-9-18(15)12-13-5-4-6-14(10-13)16(19)20/h4-6,10,15,17H,2-3,7-9,11-12H2,1H3,(H,19,20)/t15-/m1/s1