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1-[(E)-2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)vinyl]-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride

ChemSpider ID: 4938721
Molecular Formula: C₃₁H₃₄ClNO₂
Average mass: 488.059998 Da
Monoisotopic mass: 487.227997 Da
Systematic name

1-[(E)-2-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)vinyl]-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C(OCC)C5(c1ccccc1)CC[NH+](/C=C/C4c2ccccc2CCc3ccccc34)CC5 Copied

Std. InChI:

InChI=1S/C31H33NO2.ClH/c1-2-34-30(33)31(26-12-4-3-5-13-26)19-22-32(23-20-31)21-18-29-27-14-8-6-10-24(27)16-17-25-11-7-9-15-28(25)29;/h3-15,18,21,29H,2,16-17,19-20,22-23H2,1H3;1H/b21-18+; Copied

Std. InChIKey:

HTDXYXIYEDJZRK-GOSREXKOSA-N Copied
Cite this record
CSID:4938721, http://www.chemspider.com/Chemical-Structure.4938721.html (accessed 05:08, Jun 19, 2013) Copied

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

14170-88-8 [RN]

ISONIPECOTIC ACID, 1-(2-(10,11-DIHYDRO-5H-DIBENZO(a,d)CYCLOHEPTEN-5-YLIDENE)ETHY

Isonipecotic acid, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-phenyl-,ethyl 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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