Catalog Number:
AG00IDC9
Chemical Name:
4-Piperidinecarboxylic acid, 4-phenyl-, 4-methylbenzenesulfonate
CAS Number:
83949-32-0
Molecular Formula:
C19H23NO5S
Molecular Weight:
377.4546
MDL Number:
MFCD00044709
IUPAC Name:
4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C12H15NO2.C7H8O3S/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,13H,6-9H2,(H,14,15);2-5H,1H3,(H,8,9,10)
InChI Key:
NQLZTDKDXBKUGY-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCNCC1)c1ccccc1.Cc1ccc(cc1)S(=O)(=O)O
