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Substance Name: 2-((5-(4-(Methoxycarbonyl)phenyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene)methyl)-1-methylquinolinium methyl sulphate
RN: 85050-06-2
InChIKey: MGBJLQOGUZXASV-UHFFFAOYSA-M

Molecular Formula

  • C22-H20-N3-O2-S.C-H3-O4-S

Molecular Weight

  • 501.5817
 
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Names and Synonyms

Synonym

  • EINECS 285-278-3

Systematic Name

  • 2-((5-(4-(Methoxycarbonyl)phenyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene)methyl)-1-methylquinolinium methyl sulphate

Registry Numbers

CAS Registry Number

  • 85050-06-2

System Generated Number

  • 0085050062

Molecular Formulas

Molecular Formula

  • C22-H20-N3-O2-S.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C22-H20-N3-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H20N3O2S.CH4O4S/c1-24-18(13-12-15-6-4-5-7-19(15)24)14-20-25(2)23-21(28-20)16-8-10-17(11-9-16)22(26)27-3;1-5-6(2,3)4/h4-14H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

MGBJLQOGUZXASV-UHFFFAOYSA-M

Smiles

C[n+]1c(ccc2c1cccc2)/C=C\3/N(N=C(S3)c4ccc(cc4)C(=O)OC)C.COS(=O)(=O)[O-]