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

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-methylsulfanylphenyl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[4-(methylthio)phenyl]propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methylsulfanylphenyl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[4-(methylthio)phenyl]propyl]nipecotic acid Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2S/c1-3-15(12-6-8-14(20-2)9-7-12)17-10-4-5-13(11-17)16(18)19/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,18,19)