2-methyl-2-(piperazin-1-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-methyl-2-(piperazin-1-ylmethylsulfanyl)propanoic acid Openeye Name: 2-methyl-2-(piperazin-1-ylmethylsulfanyl)propanoic acid CAS Name: 2-methyl-2-(1-piperazinylmethylthio)propanoic acid IUPAC Name: 2-methyl-2-(piperazin-1-ylmethylsulfanyl)propanoic acid Traditional Name: 2-methyl-2-(piperazinomethylthio)propionic acid Formula: C9H18N2O2S MolecularWeight: 218.31642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SCN1CCNCC1

Isomeric SMILES

CC(C)(C(=O)O)SCN1CCNCC1

InChI

InChI=1S/C9H18N2O2S/c1-9(2,8(12)13)14-7-11-5-3-10-4-6-11/h10H,3-7H2,1-2H3,(H,12,13)