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Substance Name: (19alpha)-3,4,16,17-Tetradehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium perchlorate
RN: 85611-01-4
InChIKey: XNLFKKPIPARNOY-RXAPEJBRSA-N

Molecular Formula

  • C21-H23-N2-O3.Cl-O4

Molecular Weight

  • 450.8727
 
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Names and Synonyms

Synonym

  • EINECS 287-907-7

Systematic Name

  • (19alpha)-3,4,16,17-Tetradehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium perchlorate

Registry Numbers

CAS Registry Number

  • 85611-01-4

System Generated Number

  • 0085611014

Molecular Formulas

Molecular Formula

  • C21-H23-N2-O3.Cl-O4

Molecular Formula Fragments

  • C21-H23-N2-O3
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N2O3.ClHO4/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;2-1(3,4)5/h3-6,11-12,15-16H,7-10H2,1-2H3;(H,2,3,4,5)/t12-,15-,16+;/m0./s1

InChIKey

XNLFKKPIPARNOY-RXAPEJBRSA-N

Smiles

COC(=O)C1=CO[C@@H](C)[C@H]2C[N+]3=C(C[C@H]12)c4[nH]c5ccccc5c4CC3.[O-]Cl(=O)(=O)=O