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Substance Name: alpha-((tert-Butylammonio)methyl)-6-hydroxymethyl-2-phenyl-4H-1,3-dioxino(5,4-b)pyridinium maleate
RN: 63108-47-4
InChIKey: FAOFXCFGUAGSMU-BTJKTKAUSA-M

Molecular Formula

  • C19-H24-N2-O3.C4-H4-O4

Molecular Weight

  • 444.4812
 
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Names and Synonyms

Synonym

  • EINECS 263-862-9

Systematic Name

  • alpha-((tert-Butylammonio)methyl)-6-hydroxymethyl-2-phenyl-4H-1,3-dioxino(5,4-b)pyridinium maleate

Registry Numbers

CAS Registry Number

  • 63108-47-4

System Generated Number

  • 0063108474

Molecular Formulas

Molecular Formula

  • C19-H24-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C19-H24-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H25N2O3.C4H4O4/c1-19(2,3)20-13-21-15(11-22)9-10-17-16(21)12-23-18(24-17)14-7-5-4-6-8-14;5-3(6)1-2-4(7)8/h4-10,18,20,22H,11-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/q+1;/p-1/b;2-1-

InChIKey

FAOFXCFGUAGSMU-BTJKTKAUSA-M

Smiles

CC(C)(C)[NH2+]C[n+]1c(ccc2c1COC(O2)c3ccccc3)CO.C(=C\C(=O)[O-])\C(=O)[O-]