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Substance Name: 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-(1,3-benzodioxol-5-ylmethyl)-, chloride (1:1)
RN: 67874-84-4
InChIKey: HPCVJTAHVVCJCF-UHFFFAOYSA-M

Molecular Formula

  • C14-H19-N4-O2.Cl

Molecular Weight

  • 310.783
 
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Names and Synonyms

Synonym

  • 3,4-Methylenedioxybenzyl hexaminium chloride

Systematic Names

  • 3,5,7-Triaza-1-azoniatricyclo(3.2.1.13,7)decane, 1-(1,3-benzodioxol-5-ylmethyl)-, chloride
  • 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-(1,3-benzodioxol-5-ylmethyl)-, chloride (1:1)

Registry Numbers

CAS Registry Number

  • 67874-84-4

System Generated Number

  • 0067874844

Molecular Formulas

Molecular Formula

  • C14-H19-N4-O2.Cl

Molecular Formula Fragments

  • C14-H19-N4-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19N4O2.ClH/c1-2-13-14(20-11-19-13)3-12(1)4-18-8-15-5-16(9-18)7-17(6-15)10-18;/h1-3H,4-11H2;1H/q+1;/p-1

InChIKey

HPCVJTAHVVCJCF-UHFFFAOYSA-M

Smiles

[N+]12(CN3CN(C2)CN(C1)C3)Cc1cc2OCOc2cc1.[ClH-]