1-(2-octylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-octylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-octylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 1-[2-(octylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-octylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-(octylthio)ethyl]nipecotic acid Formula: C16H31NO2S MolecularWeight: 301.48784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCN1CCCC(C1)C(=O)O

Isomeric SMILES

CCCCCCCCSCCN1CCCC(C1)C(=O)O

InChI

InChI=1S/C16H31NO2S/c1-2-3-4-5-6-7-12-20-13-11-17-10-8-9-15(14-17)16(18)19/h15H,2-14H2,1H3,(H,18,19)