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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) dimethanesulphonate
RN: 64228-80-4
InChIKey: YOVGQSPPOZQQBB-UHFFFAOYSA-L

Molecular Formula

  • C53-H72-N2-O12.2C-H3-O3-S

Molecular Weight

  • 1119.3492
 
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Names and Synonyms

Synonym

  • EINECS 264-742-9

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) dimethanesulphonate

Registry Numbers

CAS Registry Number

  • 64228-80-4

System Generated Number

  • 0064228804

Molecular Formulas

Molecular Formula

  • C53-H72-N2-O12.2C-H3-O3-S

Molecular Formula Fragments

  • C-H3-O3-S
  • C53-H72-N2-O12
  • COMPONENT

Structure Descriptors

InChI

1S/C53H72N2O12.2CH4O3S/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;2*1-5(2,3)4/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1H3,(H,2,3,4)/q+2;;/p-2

InChIKey

YOVGQSPPOZQQBB-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.CS(=O)(=O)[O-].CS(=O)(=O)[O-]