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Substance Name: (Z,Z)-2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-3-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium methyl sulphate
RN: 94944-77-1
InChIKey: HFVLFKXWKDRMSW-YIQDKWKASA-N

Molecular Formula

  • C41-H78-N3-O.C-H3-O4-S

Molecular Weight

  • 740.1839
 
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Names and Synonyms

Synonym

  • EINECS 305-654-3

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94944-77-1

System Generated Number

  • 0094944771

Molecular Formulas

Molecular Formula

  • C41-H78-N3-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C41-H78-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(45)42-36-37-44-39-38-43(3)41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)/b20-18-,21-19-;

InChIKey

HFVLFKXWKDRMSW-YIQDKWKASA-N

Smiles

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