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Substance Name: Benzenemethanaminium, N,N-bis(3-aminopropyl)-3-(2-(2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-4-methoxy-N-methyl-, chloride (1:1)
RN: 40948-95-6
InChIKey: ZYSPBVNAHXGHFC-UHFFFAOYSA-N

Molecular Formula

  • C33-H41-N6-O4.Cl

Molecular Weight

  • 621.178
 
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Names and Synonyms

Synonym

  • EINECS 255-155-9

Systematic Names

  • Benzenemethanaminium, N,N-bis(3-aminopropyl)-3-((2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)azo)-4-methoxy-N-methyl-, chloride
  • Benzenemethanaminium, N,N-bis(3-aminopropyl)-3-(2-(2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-4-methoxy-N-methyl-, chloride (1:1)
  • Bis(3-aminopropyl)(3-((2-hydroxy-3-(((2-methoxyphenyl)amino)carbonyl)-1-naphthyl)azo)-4-methoxybenzyl)methylammonium chloride

Registry Numbers

CAS Registry Number

  • 40948-95-6

System Generated Number

  • 0040948956

Molecular Formulas

Molecular Formula

  • C33-H41-N6-O4.Cl

Molecular Formula Fragments

  • C33-H41-N6-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C33H40N6O4.ClH/c1-39(18-8-16-34,19-9-17-35)22-23-14-15-30(43-3)28(20-23)37-38-31-25-11-5-4-10-24(25)21-26(32(31)40)33(41)36-27-12-6-7-13-29(27)42-2;/h4-7,10-15,20-21H,8-9,16-19,22,34-35H2,1-3H3,(H-,36,37,40,41);1H

InChIKey

ZYSPBVNAHXGHFC-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)OC)\N=N\c1c(c(cc2ccccc12)C(=O)Nc1c(cccc1)OC)O)C[N+](C)(CCCN)CCCN.[ClH-]