3-Iodo-4-(2-methyl-1-piperidinyl)benzoic acid

ChemSpider ID: 23960143
Molecular Formula: C₁₃H₁₆INO₂
Average mass: 345.176086 Da
Monoisotopic mass: 345.022552 Da
Systematic name

3-Iodo-4-(2-methyl-1-piperidinyl)benzoic acid
SMILES and InChIs

SMILES:

CC1CCCCN1c2ccc(cc2I)C(=O)O Copied

Std. InChI:

InChI=1S/C13H16INO2/c1-9-4-2-3-7-15(9)12-6-5-10(13(16)17)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,16,17) Copied

Std. InChIKey:

CTQVEGJPJVTGPH-UHFFFAOYSA-N Copied
Cite this record
CSID:23960143, http://www.chemspider.com/Chemical-Structure.23960143.html (accessed 15:20, Jun 19, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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