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CHEBI:86495 - spirit blue(1+)

ChEBI IDCHEBI:86495
ChEBI Namespirit blue(1+)
Stars
DefinitionAn organic cation obtained by protonation of spirit blue base.
Last Modified15 July 2015
SubmitterSteve
DownloadsMolfile
FormulaH.C37H29N3
Net Charge+1
Average Mass516.668
Monoisotopic Mass516.24342
SMILESC1=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=CC1=Nc1ccccc1.[H+]
InChIInChI=1S/C37H29N3/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-39H/p+1
InChIKeyMIIMIZNJMPQNKO-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
spirit blue(1+) (CHEBI:86495) is a organic cation (CHEBI:25697)
spirit blue(1+) (CHEBI:86495) is conjugate acid of spirit blue base (CHEBI:86491)
Incoming Relation(s)
spirit blue (CHEBI:86483) has part spirit blue(1+) (CHEBI:86495)
spirit blue base (CHEBI:86491) is conjugate base of spirit blue(1+) (CHEBI:86495)
Synonym  Source
spirit blue cationChEBI