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CHEBI:155928 - arterolane(1+)

ChEBI IDCHEBI:155928
ChEBI Namearterolane(1+)
Stars
DefinitionA primary ammonium ion that is the conjugate acid of arterolane, resulting from the protonation of the primary amino group. Major species at pH 7.3.
Last Modified26 June 2020
SubmitterAdnan
DownloadsMolfile
FormulaC22H37N2O4
Net Charge+1
Average Mass393.548
Monoisotopic Mass393.27478
SMILES[H][C@]1(CC(=O)NCC(C)(C)[NH3+])CC[C@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)/p+1/t14-,15?,16?,17?,18?,21+,22?
InChIKeyVXYZBLXGCYNIHP-MMNSZCNZSA-O
ChEBI Ontology
Outgoing Relation(s)
arterolane(1+) (CHEBI:155928) is a primary ammonium ion (CHEBI:65296)
arterolane(1+) (CHEBI:155928) is conjugate acid of arterolane (CHEBI:136054)
Incoming Relation(s)
arterolane maleate (CHEBI:155927) has part arterolane(1+) (CHEBI:155928)
arterolane (CHEBI:136054) is conjugate base of arterolane(1+) (CHEBI:155928)
IUPAC Name 
1-{2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decan]-4-yl]acetamido}-2-methylpropan-2-aminium
Synonym  Source
arterolane cationChEBI