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Substance Name: (Z,Z)-2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(3-((1-oxo-9-octadecenyl)amino)propyl)-1-H-imidazolium methyl sulphate
RN: 97043-72-6
InChIKey: UPICEHWNKXTHCI-YIQDKWKASA-N

Molecular Formula

  • C42-H80-N3-O.C-H3-O4-S

Molecular Weight

  • 754.2107
 
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Names and Synonyms

Synonym

  • EINECS 306-322-0

Systematic Name

  • (Z,Z)-2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(3-((1-oxo-9-octadecenyl)amino)propyl)-1-H-imidazolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 97043-72-6

System Generated Number

  • 0097043726

Molecular Formulas

Molecular Formula

  • C42-H80-N3-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C42-H80-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C42H79N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-41-43-38-40-45(41,3)39-34-37-44-42(46)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-40H2,1-3H3;1H3,(H,2,3,4)/b20-18-,21-19-;

InChIKey

UPICEHWNKXTHCI-YIQDKWKASA-N

Smiles

S(=O)(=O)([O-])OC.[N+]1(C(=NCC1)CCCCCCC/C=C\CCCCCCCC)(CCCNC(=O)CCCCCCC/C=C\CCCCCCCC)C