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Substance Name: Pentacynium
RN: 13087-58-6
UNII: L5D6922DJI
InChIKey: GKPFBMQXTRZTOW-UHFFFAOYSA-N

Molecular Weight

  • 421.6251
 
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Names and Synonyms

Name of Substance

  • Pentacynium

Synonyms

  • N-(N'-(5-Cyano-5,5-diphenylpentyl)-N'-dimethylammoniummethyl)-N-methylmorpholinium
  • Pentacynium
  • UNII-L5D6922DJI

Registry Numbers

CAS Registry Number

  • 13087-58-6

FDA UNII

  • L5D6922DJI

System Generated Number

  • 0013087586

Structure Descriptors

InChI

1S/C27H39N3O/c1-29(2,18-19-30(3)20-22-31-23-21-30)17-11-10-16-27(24-28,25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15H,10-11,16-23H2,1-3H3/q+2

InChIKey

GKPFBMQXTRZTOW-UHFFFAOYSA-N

Smiles

C[N+]1(CCOCC1)CC[N+](C)(C)CCCCC(C#N)(c2ccccc2)c3ccccc3