EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41960 - DITERCALINIUM

Default Structure
ChEBI IDCHEBI:41960
ChEBI NameDITERCALINIUM
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC46H50N6O2
Net Charge+2
Average Mass718.946
Monoisotopic Mass718.39843
SMILES[H]c1c(OC([H])([H])[H])c([H])c2c3c4c([H])[n+](C([H])([H])C([H])([H])N5C([H])([H])C([H])([H])C([H])(C6([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[n+]7c([H])c([H])c8c([H])c([H])c9c(c8c7[H])c7c([H])c(OC([H])([H])[H])c([H])c([H])c7n9[H])C([H])([H])C6([H])[H])C([H])([H])C5([H])[H])c([H])c([H])c4c([H])c([H])c3n([H])c2c1[H]
InChIInChI=1S/C46H48N6O2/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3/p+2
InChIKeyNHUWXMNVGMRODJ-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
DITERCALINIUM (CHEBI:41960) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2,2'-(4,4'-bipiperidine-1,1'-diyldiethane-2,1-diyl)bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)PDBeChem
DITERCALINIUMPDBeChem
Manual XrefsDatabases
DITPDBeChem