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Substance Name: Benzoquinonium
RN: 7554-16-7
UNII: T91WJ82JOZ
InChIKey: YERABYSOHUZTPQ-UHFFFAOYSA-P

Molecular Formula

  • C34-H50-N4-O2

Molecular Weight

  • 546.795
 
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Names and Synonyms

Name of Substance

  • Benzoquinonium

Synonym

  • UNII-T91WJ82JOZ

Systematic Name

  • Benzenemethanaminium, N,N'-((3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino-3,1-propanediyl))bis(N,N-diethyl-

Registry Numbers

CAS Registry Number

  • 7554-16-7

FDA UNII

  • T91WJ82JOZ

Related Registry Number

  • 311-09-1 (di-Chloride)

System Generated Number

  • 0007554167

Structure Descriptors

InChI

1S/C34H48N4O2/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3/p+2

InChIKey

YERABYSOHUZTPQ-UHFFFAOYSA-P

Smiles

CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)Cc2ccccc2)Cc3ccccc3