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Substance Name: 2,2'-(1,5-Pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium) diiodide
RN: 64493-21-6
InChIKey: YJIYHDCQNHBGDU-UHFFFAOYSA-L

Molecular Formula

  • C53-H72-N2-O12.2I

Molecular Weight

  • 1182.9538
 
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Names and Synonyms

Synonym

  • EINECS 264-921-1

Systematic Name

  • 2,2'-(1,5-Pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium) diiodide

Registry Numbers

CAS Registry Number

  • 64493-21-6

System Generated Number

  • 0064493216

Molecular Formulas

Molecular Formula

  • C53-H72-N2-O12.2I

Molecular Formula Fragments

  • C53-H72-N2-O12
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C53H72N2O12.2HI/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;;/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1H/q+2;;/p-2

InChIKey

YJIYHDCQNHBGDU-UHFFFAOYSA-L

Smiles

C[N+]1(CCc2cc(c(cc2C1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCc5cc(c(cc5C4Cc6ccc(c(c6)OC)OC)OC)OC)C.[I-].[I-]