Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Hemicholinium 3 A-5
RN: 105098-65-5
InChIKey: XWBHHHNTKSWNRM-UHFFFAOYSA-L

Molecular Formula

  • C30-H46-N2-O2.2I

Molecular Weight

  • 720.505
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Hemicholinium 3 A-5

Name of Substance

  • 1,1'-((1,1'-Biphenyl)-4,4'-diylbis(2-hydroxy-2,1-ethanediyl))bis(1,4-dimethylpiperidinium)

Synonym

  • Hemicholinium 3 A-5

Systematic Name

  • Piperidinium, 1,1'-((1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-2,1-ethanediyl))bis(1,4-dimethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 105098-65-5

System Generated Number

  • 0105098655

Molecular Formulas

Molecular Formula

  • C30-H46-N2-O2.2I

Molecular Formula Fragments

  • C30-H46-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C30H46N2O2.2HI/c1-23-13-17-31(3,18-14-23)21-29(33)27-9-5-25(6-10-27)26-7-11-28(12-8-26)30(34)22-32(4)19-15-24(2)16-20-32;;/h5-12,23-24,29-30,33-34H,13-22H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

XWBHHHNTKSWNRM-UHFFFAOYSA-L

Smiles

C1(CC[N+](C)(C[C@@H](c2ccc(c3ccc(cc3)[C@@H](C[N+]3(CCC(CC3)C)C)O)cc2)O)CC1)C.[IH-].[IH-]