2-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(1-methyl-4-piperidyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(1-methyl-4-piperidinyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1-methyl-4-piperidyl)imidazol-2-yl]thio]acetic acid Formula: C11H17N3O2S MolecularWeight: 255.33658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CN1CCC(CC1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C11H17N3O2S/c1-13-5-2-9(3-6-13)14-7-4-12-11(14)17-8-10(15)16/h4,7,9H,2-3,5-6,8H2,1H3,(H,15,16)