1-[1-(4-methylsulfanylphenyl)pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-methylsulfanylphenyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[4-(methylthio)phenyl]pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methylsulfanylphenyl)pentyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[4-(methylthio)phenyl]pentyl]nipecotic acid Formula: C18H27NO2S MolecularWeight: 321.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)SC)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)SC)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C18H27NO2S/c1-3-4-7-17(14-8-10-16(22-2)11-9-14)19-12-5-6-15(13-19)18(20)21/h8-11,15,17H,3-7,12-13H2,1-2H3,(H,20,21)