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CHEBI:132294 - phenylephrine(1+)

ChEBI IDCHEBI:132294
ChEBI Namephenylephrine(1+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary amino function of phenylephrine.
Last Modified24 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC9H14NO2
Net Charge+1
Average Mass168.216
Monoisotopic Mass168.10191
SMILESC[NH2+]C[C@H](O)c1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
InChIKeySONNWYBIRXJNDC-VIFPVBQESA-O
ChEBI Ontology
Outgoing Relation(s)
phenylephrine(1+) (CHEBI:132294) is a ammonium ion derivative (CHEBI:35274)
phenylephrine(1+) (CHEBI:132294) is a organic cation (CHEBI:25697)
phenylephrine(1+) (CHEBI:132294) is conjugate acid of phenylephrine (CHEBI:8093)
Incoming Relation(s)
phenylephrine hydrochloride (CHEBI:8094) has part phenylephrine(1+) (CHEBI:132294)
phenylephrine (CHEBI:8093) is conjugate base of phenylephrine(1+) (CHEBI:132294)
IUPAC Name 
(2R)-2-hydroxy-2-(3-hydroxyphenyl)-N-methylethan-1-aminium
Synonym  Source
phenylephrine cationChEBI