1-(3-methylsulfanylpropanoyl)-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(3-methylsulfanylpropanoyl)-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-(3-methylsulfanylpropanoyl)-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[3-(methylthio)-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-methylsulfanylpropanoyl)-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(methylthio)propanoyl]-4-phenyl-isonipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSCCC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-21-12-7-14(18)17-10-8-16(9-11-17,15(19)20)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,20)