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CHEBI:39746 - 2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)

Default Structure
ChEBI IDCHEBI:39746
ChEBI Name2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)
Stars
ASCII Name2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)
Last Modified16 May 2008
DownloadsMolfile
FormulaC49H56N6O2
Net Charge+2
Average Mass761.027
Monoisotopic Mass760.44538
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])(C([H])([H])C([H])([H])C([H])([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/C49H54N6O2/c1-56-38-8-12-44-40(30-38)48-42-32-54(24-18-36(42)6-10-46(48)50-44)28-26-52-20-14-34(15-21-52)4-3-5-35-16-22-53(23-17-35)27-29-55-25-19-37-7-11-47-49(43(37)33-55)41-31-39(57-2)9-13-45(41)51-47/h6-13,18-19,24-25,30-35H,3-5,14-17,20-23,26-29H2,1-2H3/p+2
InChIKeyOAPSNAJHSNYHAG-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium) (CHEBI:39746) is a piperidines (CHEBI:26151)
2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium) (CHEBI:39746) is a pyridocarbazole (CHEBI:48631)
Synonyms  Source
1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANEPDBeChem
2,2'-[propane-1,3-diylbis(piperidine-4,1-diylethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium)PDBeChem
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232PDBeChem