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CHEBI:47719 - trans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium

Default Structure
ChEBI IDCHEBI:47719
ChEBI Nametrans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium
Stars
ASCII Nametrans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium
Last Modified24 October 2014
DownloadsMolfile
FormulaC29H37Cl2N2O2
Net Charge+1
Average Mass516.533
Monoisotopic Mass515.22266
SMILES[H]c1c([H])c2c(c([H])c1Cl)C([H])(C(=O)N([H])[C@]1([H])C([H])([H])C([H])([H])[N@@+](C([H])([H])C([H])([H])[H])(C([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C1([H])[H])c1c([H])c(Cl)c([H])c([H])c1O2
InChIInChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1/t23-,33-
InChIKeyZTXGBIXSMSZDOC-ZOKJZWPRSA-O
ChEBI Ontology
Outgoing Relation(s)
trans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium (CHEBI:47719) is a piperidinium ion (CHEBI:48633)
Synonyms  Source
1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUMPDBeChem
trans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidiniumPDBeChem
Manual XrefsDatabases
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