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Substance Name: 4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulfate
RN: 52793-97-2
InChIKey: BPDGKTMMBDRVHQ-UNVLYCKESA-M

Molecular Formula

  • C20-H28-N-O.C-H3-O4-S

Molecular Weight

  • 393.545
 
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Names and Synonyms

Name of Substance

  • 4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulfate

Synonyms

  • 4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulphate
  • 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate
  • EINECS 258-190-8

Systematic Names

  • Benzenaminium, N,N,N-trimethyl-4-((4,7,7-trimethyl-3-oxobicyclo(2.2.1)hept-2-ylidene)methyl)-, methyl sulfate
  • Methyl N,N,N-trimethyl-4-((4,7,7-trimethyl-3-oxobicyclo(2.2.1)hept-2-ylidene)methyl)anilinium sulphate

Registry Numbers

CAS Registry Number

  • 52793-97-2

System Generated Number

  • 0052793972

Molecular Formulas

Molecular Formula

  • C20-H28-N-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C20-H28-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28NO.CH4O3S/c1-19(2)17-11-12-20(19,3)18(22)16(17)13-14-7-9-15(10-8-14)21(4,5)6;1-5(2,3)4/h7-10,13,17H,11-12H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/b16-13-;

InChIKey

BPDGKTMMBDRVHQ-UNVLYCKESA-M

Smiles

C1(C)([C@@]2(C(\C(=C/c3ccc([N+](C)(C)C)cc3)[C@@H]1CC2)=O)C)C.S(C)(=O)(=O)[O-]