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Details

Stereochemistry ACHIRAL
Molecular Formula C30H37Cl2N2O2.I
Molecular Weight 655.437
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of J-113863, CIS-

SMILES

[I-].CC[N@@+]2(CC1=CCCCCCC1)CC[C@@H](CC2)NC(=O)C3C4=C(OC5=C3C=C(Cl)C=C5)C=CC(Cl)=C4

InChI

InChIKey=FOAFBMYSXIGAOX-KEKKVSGZSA-N
InChI=1S/C30H36Cl2N2O2.HI/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;1H/b21-8+;/t24-,34+;

HIDE SMILES / InChI

Approval Year

Name Type Language
J-113863, CIS-
Common Name English
PIPERIDINIUM, 1-(1-CYCLOOCTEN-1-YLMETHYL)-4-(((2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL)AMINO)-1-ETHYL-, IODIDE, CIS-
Systematic Name English
PIPERIDINIUM, 1-(1-CYCLOOCTEN-1-YLMETHYL)-4-(((2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL)AMINO)-1-ETHYL-, IODIDE (1:1), CIS-
Systematic Name English
Code System Code Type Description
CAS
342807-83-4
Created by admin on Sat Dec 16 10:58:49 UTC 2023 , Edited by admin on Sat Dec 16 10:58:49 UTC 2023
SUPERSEDED
FDA UNII
H942HGF14D
Created by admin on Sat Dec 16 10:58:49 UTC 2023 , Edited by admin on Sat Dec 16 10:58:49 UTC 2023
PRIMARY
CAS
202796-41-6
Created by admin on Sat Dec 16 10:58:49 UTC 2023 , Edited by admin on Sat Dec 16 10:58:49 UTC 2023
PRIMARY