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Substance Name: J-113863 cation, cis-
RN: 716313-11-0
UNII: E449119QPL
InChIKey: VQHKDCUXFKNNMT-UOULXDJVSA-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, cis-

Synonyms

  • J-113863 cation, cis-
  • Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, cis-
  • UNII-E449119QPL

Registry Numbers

CAS Registry Number

  • 716313-11-0

FDA UNII

  • E449119QPL

System Generated Number

  • 0716313110

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-UOULXDJVSA-O

Smiles

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