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1-[(1S,2S)-2-({[4-(Hexyloxy)phenyl]carbamoyl}oxy)cyclohexyl]pyrrolidinium chloride

ChemSpider ID: 34806
Molecular Formula: C₂₃H₃₇ClN₂O₃
Average mass: 425.004486 Da
Monoisotopic mass: 424.249268 Da
Systematic name

1-[(1S,2S)-2-({[4-(Hexyloxy)phenyl]carbamoyl}oxy)cyclohexyl]pyrrolidinium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C(O[C@H]1CCCC[C@@H]1[NH+]2CCCC2)Nc3ccc(OCCCCCC)cc3 Copied

Std. InChI:

InChI=1S/C23H36N2O3.ClH/c1-2-3-4-9-18-27-20-14-12-19(13-15-20)24-23(26)28-22-11-6-5-10-21(22)25-16-7-8-17-25;/h12-15,21-22H,2-11,16-18H2,1H3,(H,24,26);1H/t21-,22-;/m0./s1 Copied

Std. InChIKey:

YGNXJBMQFMSIMP-VROPFNGYSA-N Copied
Cite this record
CSID:34806, http://www.chemspider.com/Chemical-Structure.34806.html (accessed 19:11, May 25, 2012) Copied

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

38198-50-4 [RN]

CARBANILIC ACID, p-HEXYLOXY-, 2-(1-PYRROLIDINYL)CYCLOHEXYL ESTER, HYDROCHLORIDE,

p-Hexyloxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl 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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