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Substance Name: J-113863 cation, trans-
RN: 765882-14-2
UNII: Y99524800Z
InChIKey: VQHKDCUXFKNNMT-HUEHRCTKSA-O

Molecular Formula

  • C30-H37-Cl2-N2-O2

Molecular Weight

  • 528.5403
 
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Names and Synonyms

Name of Substance

  • J-113863 cation, trans-

Synonyms

  • J-113863 cation, trans-
  • Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, trans-
  • UNII-Y99524800Z

Registry Numbers

CAS Registry Number

  • 765882-14-2

FDA UNII

  • Y99524800Z

System Generated Number

  • 0765882142

Structure Descriptors

InChI

1S/C30H36Cl2N2O2/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3/p+1/b21-8+/t24-,34-

InChIKey

VQHKDCUXFKNNMT-HUEHRCTKSA-O

Smiles

CC[N@+]1(CC[C@H](CC1)NC(=O)C2c3c(ccc(c3)Cl)Oc4c2cc(cc4)Cl)C/C/5=C/CCCCCC5