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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)SC)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)SC)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C18H27NO2S/c1-3-4-5-17(14-6-8-16(22-2)9-7-14)19-12-10-15(11-13-19)18(20)21/h6-9,15,17H,3-5,10-13H2,1-2H3,(H,20,21)