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1-(3-{[4-(Hexyloxy)benzoyl]oxy}propyl)-2,6-dimethylpiperidinium chloride

ChemSpider ID: 44637
Molecular Formula: C₂₃H₃₈ClNO₃
Average mass: 412.005707 Da
Monoisotopic mass: 411.254028 Da
Systematic name

1-(3-{[4-(Hexyloxy)benzoyl]oxy}propyl)-2,6-dimethylpiperidinium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C(OCCC[NH+]1C(C)CCCC1C)c2ccc(OCCCCCC)cc2 Copied

Std. InChI:

InChI=1S/C23H37NO3.ClH/c1-4-5-6-7-17-26-22-14-12-21(13-15-22)23(25)27-18-9-16-24-19(2)10-8-11-20(24)3;/h12-15,19-20H,4-11,16-18H2,1-3H3;1H Copied

Std. InChIKey:

KHIXPLNSPBXQAX-UHFFFAOYSA-N Copied
Cite this record
CSID:44637, http://www.chemspider.com/Chemical-Structure.44637.html (accessed 17:52, Jun 19, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

67049-49-4 [RN]

Benzoic acid, p-hexyloxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride

p-Hexyloxybenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride

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

Click to predict properties on the Chemicalize site

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