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Substance Name: SN 8518
RN: 81944-21-0
InChIKey: LCVVAXJXSOXMTG-UHFFFAOYSA-P

Molecular Formula

  • C33-H34-N6-O2.2C7-H7-O3-S

Molecular Weight

  • 891.078
 
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Names and Synonyms

Results Name

  • SN 8518

Synonym

  • SN 8518

Systematic Name

  • Quinolinium, 1-methyl-4-((4-((5-((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)-1,5-dioxopentyl)amino)phenyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2)

Registry Numbers

CAS Registry Number

  • 81944-21-0

System Generated Number

  • 0081944210

Molecular Formulas

Molecular Formula

  • C33-H34-N6-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C33-H34-N6-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C33H32N6O2.2C7H8O3S/c1-38-21-18-28(19-22-38)34-24-10-14-26(15-11-24)36-32(40)8-5-9-33(41)37-27-16-12-25(13-17-27)35-30-20-23-39(2)31-7-4-3-6-29(30)31;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6-7,10-23H,5,8-9H2,1-2H3,(H2,36,37,40,41);2*2-5H,1H3,(H,8,9,10)/p+2

InChIKey

LCVVAXJXSOXMTG-UHFFFAOYSA-P

Smiles

[n+]1(C)ccc(Nc2ccc(NC(CCCC(Nc3ccc(Nc4cc[n+](cc4)C)cc3)=O)=O)cc2)c2ccccc12.c1(ccc(cc1)C)S(=O)(=O)O.c1(ccc(cc1)C)S(=O)(=O)O