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Substance Name: Benzothiazolium, 3-methyl-2-(2-(1-piperidinyl)ethenyl)-, 4-methylbenzenesulfonate (1:1)
RN: 63149-29-1
InChIKey: STJYBOLZACTXAA-UHFFFAOYSA-M

Molecular Formula

  • C15-H19-N2-S.C7-H7-O3-S

Molecular Weight

  • 430.59
 
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Names and Synonyms

  • Benzothiazolium, 3-methyl-2-(2-(1-piperidinyl)ethenyl)-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-methyl-2-(2-(1-piperidinyl)ethenyl)-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 63149-29-1

System Generated Number

  • 0063149291

Molecular Formulas

Molecular Formula

  • C15-H19-N2-S.C7-H7-O3-S

Molecular Formula Fragments

  • C15-H19-N2-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C15H19N2S.C7H8O3S/c1-16-13-7-3-4-8-14(13)18-15(16)9-12-17-10-5-2-6-11-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7-9,12H,2,5-6,10-11H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

STJYBOLZACTXAA-UHFFFAOYSA-M

Smiles

N1(CCCCC1)\C=C/c1[n+](c2c(s1)cccc2)C.c1cc(ccc1S([O-])(=O)=O)C