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Substance Name: Pentamethylenedi(oxy)bis(3-oxopropyl)bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium) diacetate
RN: 94023-63-9
InChIKey: QNBQQMOFUSBQHY-UHFFFAOYSA-L

Molecular Formula

  • C51-H66-N2-O12.2C2-H4-O2

Molecular Weight

  • 1015.156
 
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Names and Synonyms

Synonym

  • EINECS 301-661-0

Systematic Name

  • Pentamethylenedi(oxy)bis(3-oxopropyl)bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium) diacetate

Registry Numbers

CAS Registry Number

  • 94023-63-9

System Generated Number

  • 0094023639

Molecular Formulas

Molecular Formula

  • C51-H66-N2-O12.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C51-H66-N2-O12
  • COMPONENT

Structure Descriptors

InChI

1S/C51H64N2O12.2C2H4O2/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*1-2(3)4/h12-15,28-33H,9-11,16-27H2,1-8H3;2*1H3,(H,3,4)/q+2;;/p-2

InChIKey

QNBQQMOFUSBQHY-UHFFFAOYSA-L

Smiles

C(=O)(C)[O-].C(CC(=O)OCCCCCOC(=O)CC[N+]1=C(c2c(CC1)cc(c(c2)OC)OC)Cc1cc(c(cc1)OC)OC)[N+]1=C(c2c(CC1)cc(c(c2)OC)OC)Cc1cc(c(cc1)OC)OC.C(=O)(C)[O-]