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CHEBI:176787 - dizocilpine(1+)

ChEBI IDCHEBI:176787
ChEBI Namedizocilpine(1+)
Stars
DefinitionA secondary ammonium ion that is the conjugate acid of dizocilpine obtained by protonation of the secondary amino group. Major microspecies at pH 7.3.
Last Modified8 July 2021
SubmitterAdnan
DownloadsMolfile
FormulaC16H16N
Net Charge+1
Average Mass222.311
Monoisotopic Mass222.12773
SMILES[H][C@]12Cc3ccccc3[C@](C)([NH2+]1)c1ccccc12
InChIInChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/p+1/t15-,16+/m1/s1
InChIKeyLBOJYSIDWZQNJS-CVEARBPZSA-O
ChEBI Ontology
Outgoing Relation(s)
dizocilpine(1+) (CHEBI:176787) is a secondary ammonium ion (CHEBI:137419)
dizocilpine(1+) (CHEBI:176787) is conjugate acid of dizocilpine (CHEBI:34725)
Incoming Relation(s)
dizocilpine maleate (CHEBI:176788) has part dizocilpine(1+) (CHEBI:176787)
dizocilpine (CHEBI:34725) is conjugate base of dizocilpine(1+) (CHEBI:176787)
IUPAC Name 
(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulen-12-ium
Synonym  Source
dizocilpine cationChEBI