5-methyl-2-(piperidin-4-ylmethyl)-2-sulfanyl-hexanoic acid

Systemtic Name: 5-methyl-2-(piperidin-4-ylmethyl)-2-sulfanyl-hexanoic acid Openeye Name: 5-methyl-2-(4-piperidylmethyl)-2-sulfanyl-hexanoic acid CAS Name: 2-mercapto-5-methyl-2-(4-piperidinylmethyl)hexanoic acid IUPAC Name: 5-methyl-2-(piperidin-4-ylmethyl)-2-sulfanylhexanoic acid Traditional Name: 2-mercapto-5-methyl-2-(4-piperidylmethyl)hexanoic acid Formula: C13H25NO2S MolecularWeight: 259.4081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC1CCNCC1)(C(=O)O)S

Isomeric SMILES

CC(C)CCC(CC1CCNCC1)(C(=O)O)S

InChI

InChI=1S/C13H25NO2S/c1-10(2)3-6-13(17,12(15)16)9-11-4-7-14-8-5-11/h10-11,14,17H,3-9H2,1-2H3,(H,15,16)