1-(3-{[4-Amino-2-(benzyloxy)benzoyl]oxy}propyl)piperidinium dihydrogen phosphate

ChemSpider ID: 52117
Molecular Formula: C₂₂H₃₁N₂O₇P
Average mass: 466.464508 Da
Monoisotopic mass: 466.18689 Da
Systematic name

1-(3-{[4-Amino-2-(benzyloxy)benzoyl]oxy}propyl)piperidinium dihydrogen phosphate
SMILES and InChIs

SMILES:

[O-]P(=O)(O)O.O=C(OCCC[NH+]1CCCCC1)c3ccc(N)cc3OCc2ccccc2 Copied

Std. InChI:

InChI=1S/C22H28N2O3.H3O4P/c23-19-10-11-20(21(16-19)27-17-18-8-3-1-4-9-18)22(25)26-15-7-14-24-12-5-2-6-13-24;1-5(2,3)4/h1,3-4,8-11,16H,2,5-7,12-15,17,23H2;(H3,1,2,3,4) Copied

Std. InChIKey:

ZEFJKTDVBATXPM-UHFFFAOYSA-N Copied
Cite this record
CSID:52117, http://www.chemspider.com/Chemical-Structure.52117.html (accessed 02:16, May 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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