EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31507 - 2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide

ChEBI IDCHEBI:31507
ChEBI Name2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H28NO2.I
Net Charge0
Average Mass465.375
Monoisotopic Mass465.11648
SMILESC[N+]1(CC2COC(c3ccccc3)(c3ccccc3)O2)CCCCC1.[I-]
InChIInChI=1S/C22H28NO2.HI/c1-23(15-9-4-10-16-23)17-21-18-24-22(25-21,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14,21H,4,9-10,15-18H2,1H3;1H/q+1;/p-1
InChIKeyNOXZRZKBAKQQAL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide (CHEBI:31507) is a dioxolane (CHEBI:39430)
2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide (CHEBI:31507) is a piperidines (CHEBI:26151)
Synonym  Source
Diphenylpiperidinomethyldioxolan iodideKEGG COMPOUND
Manual XrefsDatabases
D01600KEGG DRUG
Registry NumbersSources
CAS:21216-78-4KEGG COMPOUND