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Substance Name: trans-1,2,3,4,4a,13b-Hexahydro-2-methyldibenzo(2,3:6,7)thiepino(4,5-c)pyridinium maleate
RN: 85650-54-0
InChIKey: XANQXPOZWMVVQH-UQBGPEHISA-N

Molecular Formula

  • C18-H19-N-S.C4-H4-O4

Molecular Weight

  • 397.4927
 
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Names and Synonyms

Synonym

  • EINECS 288-062-7

Systematic Name

  • trans-1,2,3,4,4a,13b-Hexahydro-2-methyldibenzo(2,3:6,7)thiepino(4,5-c)pyridinium maleate

Registry Numbers

CAS Registry Number

  • 85650-54-0

System Generated Number

  • 0085650540

Molecular Formulas

Molecular Formula

  • C18-H19-N-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H19-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19NS.C4H4O4/c1-19-11-10-13-14-6-2-4-8-17(14)20-18-9-5-3-7-15(18)16(13)12-19;5-3(6)1-2-4(7)8/h2-9,13,16H,10-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,16+;/m1./s1

InChIKey

XANQXPOZWMVVQH-UQBGPEHISA-N

Smiles

C[NH+]1CC[C@H]2[C@H](C1)c3ccccc3Sc4ccccc24.OC(=O)\C=C/C(=O)[O-]