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Substance Name: 2-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-5-(phenylmethoxy)-3H-indolium methyl sulphate
RN: 83949-84-2
InChIKey: RPSUEIMUIXLTJY-UHFFFAOYSA-M

Molecular Formula

  • C29-H31-N2-O.C-H3-O4-S

Molecular Weight

  • 534.6736
 
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Names and Synonyms

Synonym

  • EINECS 281-442-3

Systematic Name

  • 2-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-5-(phenylmethoxy)-3H-indolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 83949-84-2

System Generated Number

  • 0083949842

Molecular Formulas

Molecular Formula

  • C29-H31-N2-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C29-H31-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C29H31N2O.CH4O4S/c1-21-18-23-12-8-9-13-26(23)31(21)17-16-28-29(2,3)25-19-24(14-15-27(25)30(28)4)32-20-22-10-6-5-7-11-22;1-5-6(2,3)4/h5-17,19,21H,18,20H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

RPSUEIMUIXLTJY-UHFFFAOYSA-M

Smiles

CC1Cc2ccccc2N1/C=C/C3=[N+](c4ccc(cc4C3(C)C)OCc5ccccc5)C.COS(=O)(=O)[O-]