Isoquinolinium, 2,2′-[1,4-phenylenebis[(1-oxo-2-propene-3,1-diyl)oxy-3,1-propanediyl]]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, dichloride

CAS Registry Number®

73909-73-6
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CAS Name

Isoquinolinium, 2,2′-[1,4-phenylenebis[(1-oxo-2-propene-3,1-diyl)oxy-3,1-propanediyl]]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, dichloride

Molecular Formula

C62H78N2O14.2Cl

Cite this Page

Isoquinolinium, 2,2′-[1,4-phenylenebis[(1-oxo-2-propene-3,1-diyl)oxy-3,1-propanediyl]]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, dichloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=73909-73-6 (retrieved 2024-03-28) (CAS RN: 73909-73-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C62H78N2O14.2ClH/c1-63(27-23-45-37-51(67-3)53(69-5)39-47(45)49(63)31-43-33-55(71-7)61(75-11)56(34-43)72-8)25-13-29-77-59(65)21-19-41-15-17-42(18-16-41)20-22-60(66)78-30-14-26-64(2)28-24-46-38-52(68-4)54(70-6)40-48(46)50(64)32-44-35-57(73-9)62(76-12)58(36-44)74-10;;/h15-22,33-40,49-50H,13-14,23-32H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

InChIKey=UNQYVYCAHVEHIT-UHFFFAOYSA-L

SMILES

C(C1C=2C(=CC(OC)=C(OC)C2)CC[N+]1(CCCOC(C=CC3=CC=C(C=CC(OCCC[N+]4(C)C(CC5=CC(OC)=C(OC)C(OC)=C5)C=6C(CC4)=CC(OC)=C(OC)C6)=O)C=C3)=O)C)C7=CC(OC)=C(OC)C(OC)=C7.[Cl-]

Canonical SMILES

[Cl-].O=C(OCCC[N+]1(C)CCC2=CC(OC)=C(OC)C=C2C1CC3=CC(OC)=C(OC)C(OC)=C3)C=CC4=CC=C(C=CC(=O)OCCC[N+]5(C)CCC6=CC(OC)=C(OC)C=C6C5CC7=CC(OC)=C(OC)C(OC)=C7)C=C4

Other Names for this Substance

  • Isoquinolinium, 2,2′-[1,4-phenylenebis[(1-oxo-2-propene-3,1-diyl)oxy-3,1-propanediyl]]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, dichloride
  • BW-A 444U

Deleted or Replaced CAS Registry Numbers

80206-86-6

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